5-Methoxy-1-methyl-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one
Basic information
- CAS
62159-90-4- Standard SMILES
COC1(c2ccccc2)N=CC(=O)N(C)c2ccc([N+](=O)[O-])cc21- InChIKey
NDPFUBYMLCCUPA-UHFFFAOYSA-N- Molecular formula
- C17H15N3O4
- Average molar mass
- 325.32 g/mol
- Monoisotopic mass
- 325.10625597
Names & identifiers
- Preferred name
- 5-Methoxy-1-methyl-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one
- IUPAC
- 5-methoxy-1-methyl-7-nitro-5-phenyl-1,4-benzodiazepin-2-one
- English name
- 1,5-Dihydro-5-methoxy-1-methyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one
- Molecular formula
- C17H15N3O4
- Molecular weight
- 325.32
Names & synonyms
62159-90-4DTXSID609777495-methoxy-1-methyl-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-oneRefChem:1073055DTXCID0014050891,5-Dihydro-5-methoxy-1-methyl-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-oneBRN 07640522H-1,4-BENZODIAZEPIN-2-ONE, 1,5-DIHYDRO-5-METHOXY-1-METHYL-7-NITRO-5-PHENYL-CHEMBL3248350SCHEMBL11744149NDPFUBYMLCCUPA-UHFFFAOYSA-NDB-291126
Show more names
5-methoxy-1methyl-7-nitro-5-phenyl-1,5-dihydro-2H-1,4-benzodiazepin-2-one
Database identifiers
- CAS
62159-90-4- PubChem CID
- 43938
- DTXSID
DTXSID60977749- ChEMBL
CHEMBL3248350- Nikkaji
- J69.325A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 526
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Related reactions
3 records
Compound notes
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