(1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 2-chloro-1-methyl-
Basic information
- CAS
112059-01-5- Standard SMILES
Cc1c(Cl)ccc2oc3c(c(=O)c12)C=Nc1ccccc1N3- InChIKey
WPCDLXHLERGZJG-UHFFFAOYSA-N- Molecular formula
- C17H11ClN2O2
- Average molar mass
- 310.7 g/mol
- Monoisotopic mass
- 310.0509053
Names & identifiers
- Preferred name
- (1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 2-chloro-1-methyl-
- IUPAC
- 2-chloro-1-methyl-6H-chromeno[2,3-b][1,5]benzodiazepin-13-one
Names & synonyms
(1)Benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one, 2-chloro-1-methyl-2-Chloro-1-methyl-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(6H)-one112059-01-5DTXSID30149850RefChem:203787DTXCID10723412-Chloro-1-methyl[1]benzopyrano[2,3-b][1,5]benzodiazepin-13(6H)-one
Database identifiers
- CAS
112059-01-5- PubChem CID
- 3086802
- DTXSID
DTXSID30149850
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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