11-(4-chlorophenyl)-N-(2-methoxyethyl)-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-chlorophenyl)-N-(2-methoxyethyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
11-(4-chlorophenyl)-N-(2-methoxyethyl)-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: | Y600-1686 |
| Compound Name: | 11-(4-chlorophenyl)-N-(2-methoxyethyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide |
| Molecular Weight: | 470.03 |
| Molecular Formula: | C25 H28 Cl N3 O2 S |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)[Cl])N(C(NCCOC)=S)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.266 |
| logD: | 5.2641 |
| logSw: | -5.9971 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.192 |
| InChI Key: | QKTWMFYAMFOUMS-QHCPKHFHSA-N |