11-[4-(dimethylamino)phenyl]-N-ethyl-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Chemical Structure Depiction of
11-[4-(dimethylamino)phenyl]-N-ethyl-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
11-[4-(dimethylamino)phenyl]-N-ethyl-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Compound characteristics
| Compound ID: | 3536-0190 |
| Compound Name: | 11-[4-(dimethylamino)phenyl]-N-ethyl-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide |
| Molecular Weight: | 448.63 |
| Molecular Formula: | C26 H32 N4 O S |
| Smiles: | CCNC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1ccc(cc1)N(C)C)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9935 |
| logD: | 4.9773 |
| logSw: | -4.5899 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 37.439 |
| InChI Key: | GGWPTCMCWGXRBJ-DEOSSOPVSA-N |