AI70890
477863-08-4 | 4-Oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI70890
ChemicalName
4-Oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
CasNumber
477863-08-4
MolecularFormula
C8H9N3O3
MolecularWeight
195.1754
MdlNumber
MFCD02570781
Smiles
OC(=O)c1cc2n(n1)CCCNC2=O
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
-0.2
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CatalogNumber: AI70890
ChemicalName: 4-Oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
CasNumber: 477863-08-4
MolecularFormula: C8H9N3O3
MolecularWeight: 195.1754
MdlNumber: MFCD02570781
Smiles: OC(=O)c1cc2n(n1)CCCNC2=O
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: -0.2
CatalogNumber:
AI70890
ChemicalName:
4-Oxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
CasNumber:
477863-08-4
MolecularFormula:
C8H9N3O3
MolecularWeight:
195.1754
MdlNumber:
MFCD02570781
Smiles:
OC(=O)c1cc2n(n1)CCCNC2=O
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: Sc1nnc(n1/N=C/c1cccs1)c1cccs1
Complexity: __
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HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
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Smiles:
Sc1nnc(n1/N=C/c1cccs1)c1cccs1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COC(=O)c1sc2c(c1n1cccc1C(=O)C(=O)N1CCCC1)cccc2
Complexity: __
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Smiles:
COC(=O)c1sc2c(c1n1cccc1C(=O)C(=O)N1CCCC1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Clc1ccc(c(c1)Cl)CSc1nnc(n1N)c1cccs1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Clc1ccc(c(c1)Cl)CSc1nnc(n1N)c1cccs1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__