AI33695
1391733-22-4 | 5-(tert-Butoxycarbonyl)-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine-7-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI33695
ChemicalName
5-(tert-Butoxycarbonyl)-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine-7-carboxylic acid
CasNumber
1391733-22-4
MolecularFormula
C15H22N4O4
MolecularWeight
322.3596
MdlNumber
MFCD23378417
Smiles
OC(=O)C1CN(Cc2c1n(nn2)CC1CC1)C(=O)OC(C)(C)C
Complexity
488
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
0.4
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CatalogNumber: AI33695
ChemicalName: 5-(tert-Butoxycarbonyl)-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine-7-carboxylic acid
CasNumber: 1391733-22-4
MolecularFormula: C15H22N4O4
MolecularWeight: 322.3596
MdlNumber: MFCD23378417
Smiles: OC(=O)C1CN(Cc2c1n(nn2)CC1CC1)C(=O)OC(C)(C)C
Complexity: 488
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.4
CatalogNumber:
AI33695
ChemicalName:
5-(tert-Butoxycarbonyl)-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine-7-carboxylic acid
CasNumber:
1391733-22-4
MolecularFormula:
C15H22N4O4
MolecularWeight:
322.3596
MdlNumber:
MFCD23378417
Smiles:
OC(=O)C1CN(Cc2c1n(nn2)CC1CC1)C(=O)OC(C)(C)C
Complexity:
488
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.4
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Smiles: NCCC1CN(Cc2c1nn(c2)C)C(=O)OC(C)(C)C
Complexity: __
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Smiles:
NCCC1CN(Cc2c1nn(c2)C)C(=O)OC(C)(C)C
Complexity:
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__
HeavyAtomCount:
__
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Smiles: O=C(N1CC(CC(=O)O)c2c(C1)ccs2)OC(C)(C)C
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Smiles:
O=C(N1CC(CC(=O)O)c2c(C1)ccs2)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: OC1COCc2c1c[nH]n2
Complexity: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC1COCc2c1c[nH]n2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__