(3E)-2,4-Diphenyl-3-(phenylimino)-2,3,4,5-tetrahydro-1H-2,4-benzodiazepin-1-one
Basic information
- CAS
71382-74-6- Standard SMILES
O=C1c2ccccc2CN(c2ccccc2)C(=Nc2ccccc2)N1c1ccccc1- InChIKey
YJBLQNYRMUNLNT-UHFFFAOYSA-N- Molecular formula
- C27H21N3O
- Average molar mass
- 403.5 g/mol
- Monoisotopic mass
- 403.1684623
Names & identifiers
- Preferred name
- (3E)-2,4-Diphenyl-3-(phenylimino)-2,3,4,5-tetrahydro-1H-2,4-benzodiazepin-1-one
- IUPAC
- 2,4-diphenyl-3-phenylimino-1H-2,4-benzodiazepin-5-one
Names & synonyms
NSC34299871382-74-6DTXSID50319255NSC-342998(3E)-2,4-Diphenyl-3-(phenylimino)-2,3,4,5-tetrahydro-1H-2,4-benzodiazepin-1-one(3Z)-2,4-diphenyl-3-phenylimino-1H-2,4-benzodiazepin-5-one(3Z)-2,4-Diphenyl-3-(phenylimino)-2,3,4,5-tetrahydro-1H-2,4-benzodiazepin-1-one
Database identifiers
- CAS
71382-74-6- PubChem CID
- 335029
- DTXSID
DTXSID50319255
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 628
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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