AV18265
1823395-32-9 | tert-Butyl 4-hydroxy-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-2(3H)-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AV18265
ChemicalName
tert-Butyl 4-hydroxy-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-2(3H)-carboxylate
CasNumber
1823395-32-9
MolecularFormula
C13H20N2O3
MolecularWeight
252.3095
MdlNumber
MFCD28119015
Smiles
OC1CN(Cc2n(C1)ccc2)C(=O)OC(C)(C)C
Complexity
314
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.5
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CatalogNumber: AV18265
ChemicalName: tert-Butyl 4-hydroxy-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-2(3H)-carboxylate
CasNumber: 1823395-32-9
MolecularFormula: C13H20N2O3
MolecularWeight: 252.3095
MdlNumber: MFCD28119015
Smiles: OC1CN(Cc2n(C1)ccc2)C(=O)OC(C)(C)C
Complexity: 314
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.5
CatalogNumber:
AV18265
ChemicalName:
tert-Butyl 4-hydroxy-4,5-dihydro-1H-pyrrolo[1,2-a][1,4]diazepine-2(3H)-carboxylate
CasNumber:
1823395-32-9
MolecularFormula:
C13H20N2O3
MolecularWeight:
252.3095
MdlNumber:
MFCD28119015
Smiles:
OC1CN(Cc2n(C1)ccc2)C(=O)OC(C)(C)C
Complexity:
314
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1cc(ccc1Br)C(=O)OC
Complexity: 196
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1cc(ccc1Br)C(=O)OC
Complexity:
196
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ncnc2c1cnn2Cc1ccccc1
Complexity: 325
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ncnc2c1cnn2Cc1ccccc1
Complexity:
325
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)C)Cl
Complexity: 385
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(c(c1)C)Cl
Complexity:
385
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.8