Basic information
- CAS
66427-85-8- Standard SMILES
O=C1Nc2cnc(Cl)nc2Nc2ccc(Cl)cc21- InChIKey
WWUWYSXCIDEZNN-UHFFFAOYSA-N- Molecular formula
- C11H6Cl2N4O
- Average molar mass
- 281.09 g/mol
- Monoisotopic mass
- 279.9918662
Names & identifiers
- Preferred name
- 6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2,8-dichloro-5,11-dihydro-
- IUPAC
- 2,8-dichloro-5,11-dihydropyrimido[4,5-b][1,4]benzodiazepin-6-one
Names & synonyms
66427-85-86H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2,8-dichloro-5,11-dihydro-NSC339167NSC 3391672,8-dichloro-5,11-dihydropyrimido[4,5-b][1,4]benzodiazepin-6-oneMLS003170958NSC-3391672,8-Dichloro-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one6H-Pyrimido[4,5-b][1,4]benzodiazepin-6-one, 2,8-dichloro-5,11-dihydro-W7EH64TJM6DTXSID10216650SMR001874872
Show more names
DS-0091035,13-dichloro-2,4,6,9-tetraazatricyclo[9.4.0.0{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
Database identifiers
- CAS
66427-85-8- PubChem CID
- 334337
- DTXSID
DTXSID10216650- UNII
- W7EH64TJM6
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…