Pyrido(3,2-b)pyrrolo(1,2-d)(1,4)oxazepin-7(6H)-one, 6-ethyl-6-phenyl-, (6S)-

HCID 456243

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Basic information

CAS: 400008-99-3
Standard SMILES: CC[C@@]1(c2ccccc2)Oc2cccnc2-n2cccc2C1=O
InChIKey: GASTXZXBZWXIJZ-IBGZPJMESA-N
Molecular formula: C19H16N2O2
Average molar mass: 304.3 g/mol
Monoisotopic mass: 304.12117776

Names & identifiers

Preferred name: Pyrido(3,2-b)pyrrolo(1,2-d)(1,4)oxazepin-7(6H)-one, 6-ethyl-6-phenyl-, (6S)-
IUPAC: (8S)-8-ethyl-8-phenyl-9-oxa-2,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaen-7-one

Names & synonyms

400008-99-3S-(+)-PPO463Pyrido(3,2-b)pyrrolo(1,2-d)(1,4)oxazepin-7(6H)-one, 6-ethyl-6-phenyl-, (6S)-Pyrido[3,2-b]pyrrolo[1,2-d][1,4]oxazepin-7(6H)-one, 6-ethyl-6-phenyl-, (6S)-DTXSID00193067(6S)-6-ethyl-6-phenyl-pyrido[[?]]pyrrolo[[?]][1,4]oxazepin-7-one(6S)-6-Ethyl-6-phenylpyrido[3,2-b]pyrrolo[1,2-d][1,4]oxazepin-7(6H)-one

Database identifiers

CAS: 400008-99-3
PubChem CID: 456243
DTXSID: DTXSID00193067

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 44.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 449

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