Basic information
- CAS
866735-38-8- Standard SMILES
Cc1cc(C)c2c3c(sc2n1)C(=O)N(c1cccc(Cl)c1)CC(=O)N3- InChIKey
KFVNZCJRCKXOKC-UHFFFAOYSA-N- Molecular formula
- C18H14ClN3O2S
- Average molar mass
- 371.8 g/mol
Names & identifiers
- Preferred name
- 4-(3-chlorophenyl)-8,10-dimethyl-3,4-dihydro-1H-pyrido[3',2':4,5]thieno[3,2-e][1,4]diazepine-2,5-dione
- IUPAC
- 11-(3-chlorophenyl)-3,5-dimethyl-8-thia-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione
- English name
- 4-(3-chlorophenyl)-8,10-dimethyl-3,4-dihydro-1H-pyrido[3',2':4,5]thieno[3,2-e][1,4]diazepine-2,5-dione
- Molecular formula
- C18H14ClN3O2S
- Molecular weight
- 371.84
Names & synonyms
4-(3-chlorophenyl)-8,10-dimethyl-3,4-dihydro-1H-pyrido[3',2':4,5]thieno[3,2-e][1,4]diazepine-2,5-dione866735-38-8CCG-237738AO-476/43362698SR-01000003737SR-01000003737-111-(3-chlorophenyl)-3,5-dimethyl-8-thia-6,11,14-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene-10,13-dione1H-Pyrido[3',2':4,5]thieno[3,2-e]-1,4-diazepine-2,5-dione, 4-(3-chlorophenyl)-3,4-dihydro-8,10-dimethyl-
Database identifiers
- CAS
866735-38-8
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 562
Physicochemical properties
- Boiling point
- 642.3 · 642.3±55.0 °C(Predicted)
- Density
- 1.432 · 1.432±0.06 g/cm3(Predicted)
- pka
- 10.87 · 10.87±0.20(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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