N-ethyl-11-(4-methoxyphenyl)-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
N-ethyl-11-(4-methoxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
N-ethyl-11-(4-methoxyphenyl)-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: | 3536-0191 |
| Compound Name: | N-ethyl-11-(4-methoxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide |
| Molecular Weight: | 435.59 |
| Molecular Formula: | C25 H29 N3 O2 S |
| Smiles: | CCNC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1ccc(cc1)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8859 |
| logD: | 4.884 |
| logSw: | -4.5898 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.178 |
| InChI Key: | QVVUBRKUPNRMHT-QHCPKHFHSA-N |