AI40996
1820718-67-9 | 7-Bromo-1-cyclohexyl-1,3-benzodiazole-5-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI40996
ChemicalName
7-Bromo-1-cyclohexyl-1,3-benzodiazole-5-carbonitrile
CasNumber
1820718-67-9
MolecularFormula
C14H14BrN3
MolecularWeight
304.1851
MdlNumber
MFCD26131168
Smiles
N#Cc1cc(Br)c2c(c1)ncn2C1CCCCC1
Complexity
344
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
3.6
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CatalogNumber: AI40996
ChemicalName: 7-Bromo-1-cyclohexyl-1,3-benzodiazole-5-carbonitrile
CasNumber: 1820718-67-9
MolecularFormula: C14H14BrN3
MolecularWeight: 304.1851
MdlNumber: MFCD26131168
Smiles: N#Cc1cc(Br)c2c(c1)ncn2C1CCCCC1
Complexity: 344
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 3.6
CatalogNumber:
AI40996
ChemicalName:
7-Bromo-1-cyclohexyl-1,3-benzodiazole-5-carbonitrile
CasNumber:
1820718-67-9
MolecularFormula:
C14H14BrN3
MolecularWeight:
304.1851
MdlNumber:
MFCD26131168
Smiles:
N#Cc1cc(Br)c2c(c1)ncn2C1CCCCC1
Complexity:
344
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CN1CCOC(C1)C(=O)N)C
Complexity: 183
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CN1CCOC(C1)C(=O)N)C
Complexity:
183
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1CN(C(=O)C1)c1ccc(cc1)[N+](=O)[O-]
Complexity: 384
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1CN(C(=O)C1)c1ccc(cc1)[N+](=O)[O-]
Complexity:
384
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(F)cc(c1)c1ccc(c(c1)F)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(F)cc(c1)c1ccc(c(c1)F)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__