7-Chloro-3-(2,3-dihydroxypropoxy)-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Basic information
- CAS
40967-03-1- Standard SMILES
CN1C(=O)C(OCC(O)CO)N=C(c2ccccc2)c2cc(Cl)ccc21- InChIKey
UINFKULKHSCUPP-UHFFFAOYSA-N- Molecular formula
- C19H19ClN2O4
- Average molar mass
- 374.8 g/mol
- Monoisotopic mass
- 374.1033348
Names & identifiers
- Preferred name
- 7-Chloro-3-(2,3-dihydroxypropoxy)-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
- IUPAC
- 7-chloro-3-(2,3-dihydroxypropoxy)-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
Names & synonyms
40967-03-1DTXSID009613497-Chloro-3-(2,3-dihydroxypropoxy)-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-oneRefChem:1074392DTXCID7013891791,3-Dihydro-7-chloro-3-(2,3-dihydroxypropoxy)-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-oneBRN 07669082H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-(2,3-dihydroxypropoxy)-1-methyl-5-phenyl-7-Chloro-1,3-dihydro-3-(2,3-dihydroxypropoxy)-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-oneCHEMBL3249500
Database identifiers
- CAS
40967-03-1- PubChem CID
- 38731
- DTXSID
DTXSID00961349- ChEMBL
CHEMBL3249500- Nikkaji
- J69.314F
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 524
Experimental & physicochemical properties
LogP1.74
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Compound notes
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