11-(2,4-dichlorophenyl)-3,3-dimethyl-1-oxo-N-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Chemical Structure Depiction of
11-(2,4-dichlorophenyl)-3,3-dimethyl-1-oxo-N-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
11-(2,4-dichlorophenyl)-3,3-dimethyl-1-oxo-N-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Compound characteristics
| Compound ID: | Y508-3218 |
| Compound Name: | 11-(2,4-dichlorophenyl)-3,3-dimethyl-1-oxo-N-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide |
| Molecular Weight: | 522.5 |
| Molecular Formula: | C28 H25 Cl2 N3 O S |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3[Cl])[Cl])N(C(Nc3ccccc3)=S)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.598 |
| logD: | 7.5924 |
| logSw: | -6.298 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 33.415 |
| InChI Key: | ASQFOYSHGKKDDM-SANMLTNESA-N |