11-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-3,3-dimethyl-1-oxo-N-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
11-(3,4-dimethoxyphenyl)-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: | 3045-0186 |
| Compound Name: | 11-(3,4-dimethoxyphenyl)-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: | 513.66 |
| Molecular Formula: | C30 H31 N3 O3 S |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)OC)OC)N(C(Nc3ccccc3)=S)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8342 |
| logD: | 5.826 |
| logSw: | -5.5258 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.675 |
| InChI Key: | DRNCZVLJDCPAIQ-NDEPHWFRSA-N |