3,3-dimethyl-1-oxo-N-phenyl-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Chemical Structure Depiction of
3,3-dimethyl-1-oxo-N-phenyl-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
3,3-dimethyl-1-oxo-N-phenyl-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Compound characteristics
| Compound ID: | 3045-0187 |
| Compound Name: | 3,3-dimethyl-1-oxo-N-phenyl-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide |
| Molecular Weight: | 459.63 |
| Molecular Formula: | C26 H25 N3 O S2 |
| Smiles: | CC1(C)CC2=C(C(c3cccs3)N(C(Nc3ccccc3)=S)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7958 |
| logD: | 5.7821 |
| logSw: | -5.5286 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 34.433 |
| InChI Key: | AAUQEBBFSHCRHJ-DEOSSOPVSA-N |