AI16351
1251014-69-3 | tert-Butyl 1-(hydroxymethyl)-6,7-dihydro-5H-imidazo[1,5-a][1,4]diazepine-8(9H)-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI16351
ChemicalName
tert-Butyl 1-(hydroxymethyl)-6,7-dihydro-5H-imidazo[1,5-a][1,4]diazepine-8(9H)-carboxylate
CasNumber
1251014-69-3
MolecularFormula
C13H21N3O3
MolecularWeight
267.3241
MdlNumber
MFCD17017162
Smiles
OCc1ncn2c1CN(CCC2)C(=O)OC(C)(C)C
Complexity
330
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.1
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CatalogNumber: AI16351
ChemicalName: tert-Butyl 1-(hydroxymethyl)-6,7-dihydro-5H-imidazo[1,5-a][1,4]diazepine-8(9H)-carboxylate
CasNumber: 1251014-69-3
MolecularFormula: C13H21N3O3
MolecularWeight: 267.3241
MdlNumber: MFCD17017162
Smiles: OCc1ncn2c1CN(CCC2)C(=O)OC(C)(C)C
Complexity: 330
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.1
CatalogNumber:
AI16351
ChemicalName:
tert-Butyl 1-(hydroxymethyl)-6,7-dihydro-5H-imidazo[1,5-a][1,4]diazepine-8(9H)-carboxylate
CasNumber:
1251014-69-3
MolecularFormula:
C13H21N3O3
MolecularWeight:
267.3241
MdlNumber:
MFCD17017162
Smiles:
OCc1ncn2c1CN(CCC2)C(=O)OC(C)(C)C
Complexity:
330
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.1
CatalogNumber: AI16352
ChemicalName: 3-Iodo-1,5,6,7-tetrahydro-pyrazolo[4,3-b]pyridine-4-carboxylic acid tert-butyl ester
CasNumber: 1251014-79-5
MolecularFormula: C11H16IN3O2
MolecularWeight: 349.1681
MdlNumber: MFCD18792182
Smiles: O=C(N1CCCc2c1c(I)n[nH]2)OC(C)(C)C
Complexity: 306
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AI16352
ChemicalName:
3-Iodo-1,5,6,7-tetrahydro-pyrazolo[4,3-b]pyridine-4-carboxylic acid tert-butyl ester
CasNumber:
1251014-79-5
MolecularFormula:
C11H16IN3O2
MolecularWeight:
349.1681
MdlNumber:
MFCD18792182
Smiles:
O=C(N1CCCc2c1c(I)n[nH]2)OC(C)(C)C
Complexity:
306
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: OCc1n[nH]c2c1CN(C2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
OCc1n[nH]c2c1CN(C2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI16354
ChemicalName: 7-Hydroxymethyl-7,8-dihydro-4h,6h-1,5,8a-triaza-azulene-5-carboxylic acid tert-butyl ester
CasNumber: 1251014-84-2
MolecularFormula: C13H21N3O3
MolecularWeight: 267.3241
MdlNumber: MFCD18792194
Smiles: OCC1CN(Cc2n(C1)ncc2)C(=O)OC(C)(C)C
Complexity: 330
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.2
CatalogNumber:
AI16354
ChemicalName:
7-Hydroxymethyl-7,8-dihydro-4h,6h-1,5,8a-triaza-azulene-5-carboxylic acid tert-butyl ester
CasNumber:
1251014-84-2
MolecularFormula:
C13H21N3O3
MolecularWeight:
267.3241
MdlNumber:
MFCD18792194
Smiles:
OCC1CN(Cc2n(C1)ncc2)C(=O)OC(C)(C)C
Complexity:
330
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.2