6H-3a,6-Epoxy-1H-imidazo(1,2-a)(1,4)benzodiazepine-1,2(3H)-dione, 8-chloro-3-methyl-6-phenyl-
Basic information
- CAS
62167-11-7- Standard SMILES
CN1C(=O)C(=O)N2c3ccc(Cl)cc3C3(c4ccccc4)N=CC12O3- InChIKey
ARVGAFIPEMEJTK-UHFFFAOYSA-N- Molecular formula
- C18H12ClN3O3
- Average molar mass
- 353.8 g/mol
- Monoisotopic mass
- 353.0567189
Names & identifiers
- Preferred name
- 6H-3a,6-Epoxy-1H-imidazo(1,2-a)(1,4)benzodiazepine-1,2(3H)-dione, 8-chloro-3-methyl-6-phenyl-
- IUPAC
- 9-chloro-2-methyl-12-phenyl-15-oxa-2,5,13-triazatetracyclo[10.2.1.01,5.06,11]pentadeca-6(11),7,9,13-tetraene-3,4-dione
- English name
- 8-Chloro-3a, 6-epoxy-1,2,3a, 6-tetrahydro-3-methyl-6-phenyl-3H-imidazo [1, 2-a][1,4]benzodiazepine-1,2-dione
- Molecular formula
- C18H12ClN3O3
- Molecular weight
- 353.76
Names & synonyms
62167-11-7NSC295883NSC 2958836H-3a,6-Epoxy-1H-imidazo(1,2-a)(1,4)benzodiazepine-1,2(3H)-dione, 8-chloro-3-methyl-6-phenyl-8-Chloro-3a, 6-epoxy-1,2,3a, 6-tetrahydro-3-methyl-6-phenyl-3H-imidazo(1,2-a)(1,4)benzodiazepine-1,2-dionechloro-methyl-phenyl-[?]dioneCHEMBL1978289DTXSID50977758NSC-295883NCI60_0024776H-3a,2-a][1,4]benzodiazepine-1,2(3H)-dione, 8-chloro-3-methyl-6-phenyl-6H-3a,6-Epoxy-1H-imidazo[1,2-a][1, 4]benzodiazepine-1,2(3H)-dione, 8-chloro-3-methyl-6-phenyl-
Show more names
6H-3a,6-Epoxy-1H-imidazo[1,2-a][1,4]benzodiazepine-1,2(3H)-dione, 8-chloro-3-methyl-6-phenyl- (9CI)
8-Chloro-3-methyl-6-phenyl-1H,6H-3a,6-epoxyimidazo[1,2-a][1,4]benzodiazepine-1,2(3H)-dione8-Chloro-3a, 6-epoxy-1,2,3a, 6-tetrahydro-3-methyl-6-phenyl-3H-imidazo [1, 2-a][1,4]benzodiazepine-1,2-dione8-Chloro-3a, 6-epoxy-1,2,3a, 6-tetrahydro-3-methyl-6-phenyl-3H-imidazo[1, 2-a][1,4]benzodiazepine-1,2-dione8-Chloro-3a,2,3a,6-tetrahydro-3-methyl-6-phenyl-3H-imidazo[1,2-a][1,4]benzodiazepine-1,2-dione
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 664
Physicochemical properties
- Melting point
- 238 · 238-243 °C
- Boiling point
- 556.9 · 556.9±60.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- 2.11 · 2.11±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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