Basic information
- CAS
71121-82-9- Standard SMILES
Cc1ccc2oc3c(c(=O)c2c1)C=Nc1ccccc1N3- InChIKey
NGRBCJLXDOSDST-UHFFFAOYSA-N- Molecular formula
- C17H12N2O2
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.08987763
Names & identifiers
- Preferred name
- (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 2-methyl-
- IUPAC
- 2-methyl-6H-chromeno[2,3-b][1,5]benzodiazepin-13-one
Names & synonyms
BRN 10817962-Methyl-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one71121-82-9(1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 2-methyl-RefChem:203800DTXSID409914282-Methyl[1]benzopyrano[2,3-b][1,5]benzodiazepin-13(6H)-one
Database identifiers
- CAS
71121-82-9- PubChem CID
- 3054331
- DTXSID
DTXSID40991428- Nikkaji
- J3.722.342E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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