(1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-(phenylmethyl)-
Basic information
- CAS
112058-96-5- Standard SMILES
O=c1c2c(oc3ccccc13)N(Cc1ccccc1)c1ccccc1N=C2- InChIKey
FWOVEZYLMUTLIA-UHFFFAOYSA-N- Molecular formula
- C23H16N2O2
- Average molar mass
- 352.4 g/mol
- Monoisotopic mass
- 352.12117776
Names & identifiers
- Preferred name
- (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-(phenylmethyl)-
- IUPAC
- 6-benzylchromeno[2,3-b][1,5]benzodiazepin-13-one
Names & synonyms
(1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-(phenylmethyl)-6-(Phenylmethyl)-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one112058-96-5DTXSID80149845RefChem:203804DTXCID20723366-Benzyl[1]benzopyrano[2,3-b][1,5]benzodiazepin-13(6H)-one
Database identifiers
- CAS
112058-96-5- PubChem CID
- 3086797
- DTXSID
DTXSID80149845
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 634
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Compound notes
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