(1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-ethyl-2-methyl-
Basic information
- CAS
112058-98-7- Standard SMILES
CCN1c2ccccc2N=Cc2c1oc1ccc(C)cc1c2=O- InChIKey
MLRAXCDICOZSAG-UHFFFAOYSA-N- Molecular formula
- C19H16N2O2
- Average molar mass
- 304.3 g/mol
- Monoisotopic mass
- 304.12117776
Names & identifiers
- Preferred name
- (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-ethyl-2-methyl-
- IUPAC
- 6-ethyl-2-methylchromeno[2,3-b][1,5]benzodiazepin-13-one
Names & synonyms
(1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-ethyl-2-methyl-6-Ethyl-2-methyl-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one112058-98-7DTXSID00149847RefChem:203814DTXCID20723386-Ethyl-2-methyl[1]benzopyrano[2,3-b][1,5]benzodiazepin-13(6H)-one
Database identifiers
- CAS
112058-98-7- PubChem CID
- 3086799
- DTXSID
DTXSID00149847
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 554
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Compound notes
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