AA18052
117297-41-3 | 4-Oxo-3,4-dihydro-quinazoline-6-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA18052
ChemicalName
4-Oxo-3,4-dihydro-quinazoline-6-carbonitrile
CasNumber
117297-41-3
MolecularFormula
C9H5N3O
MolecularWeight
171.1555
MdlNumber
MFCD20039986
Smiles
N#Cc1ccc2c(c1)c(=O)[nH]cn2
Complexity
301
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
Xlogp3
0.4
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CatalogNumber: AA18052
ChemicalName: 4-Oxo-3,4-dihydro-quinazoline-6-carbonitrile
CasNumber: 117297-41-3
MolecularFormula: C9H5N3O
MolecularWeight: 171.1555
MdlNumber: MFCD20039986
Smiles: N#Cc1ccc2c(c1)c(=O)[nH]cn2
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
Xlogp3: 0.4
CatalogNumber:
AA18052
ChemicalName:
4-Oxo-3,4-dihydro-quinazoline-6-carbonitrile
CasNumber:
117297-41-3
MolecularFormula:
C9H5N3O
MolecularWeight:
171.1555
MdlNumber:
MFCD20039986
Smiles:
N#Cc1ccc2c(c1)c(=O)[nH]cn2
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: S=C=Nc1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)O)O
Complexity: 668
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: 4.8
CatalogNumber:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
S=C=Nc1ccc2c(c1)C(=O)OC12c2ccc(cc2Oc2c1ccc(c2)O)O
Complexity:
668
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
4.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc(cc1)CNN1CCN(CC1)C(c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc(cc1)CNN1CCN(CC1)C(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
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MolecularWeight: __
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Smiles: CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__