AB49312
350797-56-7 | 1-[3-(Benzoyloxy)propyl]-2,3-dihydro-5-(2-nitropropyl)-1h-indole-7-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB49312
ChemicalName
1-[3-(Benzoyloxy)propyl]-2,3-dihydro-5-(2-nitropropyl)-1h-indole-7-carbonitrile
CasNumber
350797-56-7
MolecularFormula
C22H23N3O4
MolecularWeight
393.4357
MdlNumber
MFCD17169997
Smiles
N#Cc1cc(CC([N+](=O)[O-])C)cc2c1N(CCCOC(=O)c1ccccc1)CC2
Complexity
619
Covalently-bondedUnitCount
1
HeavyAtomCount
29
HydrogenBondAcceptorCount
6
RotatableBondCount
8
UndefinedAtomStereocenterCount
1
Xlogp3
4.2
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CatalogNumber: AB49312
ChemicalName: 1-[3-(Benzoyloxy)propyl]-2,3-dihydro-5-(2-nitropropyl)-1h-indole-7-carbonitrile
CasNumber: 350797-56-7
MolecularFormula: C22H23N3O4
MolecularWeight: 393.4357
MdlNumber: MFCD17169997
Smiles: N#Cc1cc(CC([N+](=O)[O-])C)cc2c1N(CCCOC(=O)c1ccccc1)CC2
Complexity: 619
Covalently-bondedUnitCount: 1
HeavyAtomCount: 29
HydrogenBondAcceptorCount: 6
RotatableBondCount: 8
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.2
CatalogNumber:
AB49312
ChemicalName:
1-[3-(Benzoyloxy)propyl]-2,3-dihydro-5-(2-nitropropyl)-1h-indole-7-carbonitrile
CasNumber:
350797-56-7
MolecularFormula:
C22H23N3O4
MolecularWeight:
393.4357
MdlNumber:
MFCD17169997
Smiles:
N#Cc1cc(CC([N+](=O)[O-])C)cc2c1N(CCCOC(=O)c1ccccc1)CC2
Complexity:
619
Covalently-bondedUnitCount:
1
HeavyAtomCount:
29
HydrogenBondAcceptorCount:
6
RotatableBondCount:
8
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1sc2c(n1)c(C)ccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1sc2c(n1)c(C)ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCOC(C)(C)C
Complexity: 146
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 6.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCOC(C)(C)C
Complexity:
146
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
6.6
CatalogNumber: AB49315
ChemicalName: D,L-propargylglycine
CasNumber: 50428-03-0
MolecularFormula: C5H7NO2
MolecularWeight: 113.1146
MdlNumber: MFCD00056728
Smiles: NC(C(=O)O)CC#C
Complexity: 133
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: -2.8
CatalogNumber:
AB49315
ChemicalName:
D,L-propargylglycine
CasNumber:
50428-03-0
MolecularFormula:
C5H7NO2
MolecularWeight:
113.1146
MdlNumber:
MFCD00056728
Smiles:
NC(C(=O)O)CC#C
Complexity:
133
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
-2.8