AH51212
755034-06-1 | Methyl 3-chloro-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepine-7-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AH51212
ChemicalName
Methyl 3-chloro-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepine-7-carboxylate
CasNumber
755034-06-1
MolecularFormula
C15H11ClN2O3
MolecularWeight
302.7124
MdlNumber
MFCD27991321
Smiles
COC(=O)c1ccc2c(c1)Nc1cc(Cl)ccc1C(=O)N2
Complexity
431
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.9
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CatalogNumber: AH51212
ChemicalName: Methyl 3-chloro-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepine-7-carboxylate
CasNumber: 755034-06-1
MolecularFormula: C15H11ClN2O3
MolecularWeight: 302.7124
MdlNumber: MFCD27991321
Smiles: COC(=O)c1ccc2c(c1)Nc1cc(Cl)ccc1C(=O)N2
Complexity: 431
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AH51212
ChemicalName:
Methyl 3-chloro-11-oxo-10,11-dihydro-5h-dibenzo[b,e][1,4]diazepine-7-carboxylate
CasNumber:
755034-06-1
MolecularFormula:
C15H11ClN2O3
MolecularWeight:
302.7124
MdlNumber:
MFCD27991321
Smiles:
COC(=O)c1ccc2c(c1)Nc1cc(Cl)ccc1C(=O)N2
Complexity:
431
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCC(=O)O.CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCC(=O)O.CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1c1c(Br)cnn1C)NC(=O)Nc1ccc(cc1F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1c1c(Br)cnn1C)NC(=O)Nc1ccc(cc1F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc2c(c1)[nH]c(n2)CN(Cc1nc2c([nH]1)cc(cc2)C)CCN(Cc1nc2c([nH]1)cc(cc2)C)Cc1nc2c([nH]1)cc(cc2)C
Complexity: 891
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 6.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc2c(c1)[nH]c(n2)CN(Cc1nc2c([nH]1)cc(cc2)C)CCN(Cc1nc2c([nH]1)cc(cc2)C)Cc1nc2c([nH]1)cc(cc2)C
Complexity:
891
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
6.1