(1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-ethyl-

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Basic information

CAS: 112058-95-4
Standard SMILES: CCN1c2ccccc2N=Cc2c1oc1ccccc1c2=O
InChIKey: HJHUNLYWCZLFJZ-UHFFFAOYSA-N
Molecular formula: C18H14N2O2
Average molar mass: 290.3 g/mol
Monoisotopic mass: 290.10552769

Names & identifiers

Preferred name: (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-ethyl-
IUPAC: 6-ethylchromeno[2,3-b][1,5]benzodiazepin-13-one

Names & synonyms

(1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 6-ethyl-6-Ethyl-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one112058-95-4DTXSID20149844RefChem:203813DTXCID70723356-Ethyl[1]benzopyrano[2,3-b][1,5]benzodiazepin-13(6H)-one

Database identifiers

CAS: 112058-95-4
PubChem CID: 3086796
DTXSID: DTXSID20149844

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 41.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 22
Formal charge: 0
Complexity: 525

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Compound notes

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