Basic information
- CAS
177578-83-5- Standard SMILES
CCC1(c2ccccc2)Oc2ccccc2-n2cccc2C1=O- InChIKey
NDEBJOYSLDGPCZ-UHFFFAOYSA-N- Molecular formula
- C20H17NO2
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.12592879
Names & identifiers
- Preferred name
- 6-Ethyl-6-phenyl-pyrrolo[2,1-d][1,5]benzoxazepin-7-one
- IUPAC
- 6-ethyl-6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-one
Names & synonyms
NSC676419CHEMBL329653177578-83-56-ethyl-6-phenyl-pyrrolo[2,1-d][1,5]benzoxazepin-7-oneDTXSID703276706-ethyl-6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7(6h)-oneBDBM50052046Deriv of pyrrolobenzoxazepinones (PBO)NSC-6764195-Ethyl-5-phenyl-6-oxa-10b-aza-benzo[e]azulen-4-one(+/-)-6-Ethyl-6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7(6H)-one
Database identifiers
- CAS
177578-83-5- PubChem CID
- 385306
- DTXSID
DTXSID70327670- ChEMBL
CHEMBL329653- Nikkaji
- J1.208.012C
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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