6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2,9-dichloro-5,11-dihydro-
Basic information
- CAS
66427-84-7- Standard SMILES
O=C1Nc2cnc(Cl)nc2Nc2cc(Cl)ccc21- InChIKey
IOUYTJILTOVWQF-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, 2,9-dichloro-5,11-dihydro-
- IUPAC
- 2,9-dichloro-5,11-dihydropyrimido[4,5-b][1,4]benzodiazepin-6-one
Names & synonyms
66427-84-7RW1FKX8K2E6H-Pyrimido(4,5-b)(1,4)benzodiazepin-6-one, 2,9-dichloro-5,11-dihydro-UNII-RW1FKX8K2ENSC339166NSC 339166NSC-3391662,9-Dichloro-5,11-dihydro-6H-pyrimido(4,5-b)(1,4)benzodiazepin-6-one6H-Pyrimido[4,5-b][1,4]benzodiazepin-6-one, 2,9-dichloro-5,11-dihydro-2,9-Dichloro-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one2,9-dichloro-5,11-dihydropyrimido[4,5-b][1,4]benzodiazepin-6-oneDTXSID00216649
Database identifiers
- CAS
66427-84-7- PubChem CID
- 334336
- DTXSID
DTXSID00216649- UNII
- RW1FKX8K2E
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
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