6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-
Basic information
- CAS
66427-83-6- Standard SMILES
O=C1Nc2cnc(Cl)nc2Nc2ccccc21- InChIKey
JQQCNZKVCGQHEY-UHFFFAOYSA-N- Molecular formula
- C11H7ClN4O
- Average molar mass
- 246.65 g/mol
- Monoisotopic mass
- 246.0308386
Names & identifiers
- Preferred name
- 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-
- IUPAC
- 2-chloro-5,11-dihydropyrimido[4,5-b][1,4]benzodiazepin-6-one
Names & synonyms
66427-83-645U99SPG4M6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2-chloro-5,11-dihydro-NSC339165NSC 339165UNII-45U99SPG4MMLS003170956NSC-3391652-chloro-5,11-dihydropyrimido[4,5-b][1,4]benzodiazepin-6-one2-Chloro-5,11-dihydro-6H-pyrimido(4,5-b)(1,4)benzodiazepin-6-one2-Chloro-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one2-CHLORO-5,11-DIHYDROPYRIMIDO(4,5-B)(1,4)BENZODIAZEPIN-6-ONE
Show more names
6H-Pyrimido[4,5-b][1,4]benzodiazepin-6-one, 2-chloro-5,11-dihydro-CHEMBL1876301DTXSID40216648SMR001874870
Database identifiers
- CAS
66427-83-6- PubChem CID
- 334335
- DTXSID
DTXSID40216648- ChEMBL
CHEMBL1876301- UNII
- 45U99SPG4M
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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