11-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-3,3-dimethyl-1-oxo-N-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
11-(2H-1,3-benzodioxol-5-yl)-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: | 3046-8711 |
| Compound Name: | 11-(2H-1,3-benzodioxol-5-yl)-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: | 497.62 |
| Molecular Formula: | C29 H27 N3 O3 S |
| Smiles: | CC1(C)CC2=C(C(c3ccc4c(c3)OCO4)N(C(Nc3ccccc3)=S)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1324 |
| logD: | 6.1242 |
| logSw: | -5.5219 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.53 |
| InChI Key: | SOIPOQINGZPRQF-MHZLTWQESA-N |