10-[(3-chlorophenyl)methyl]-8-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-8-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
10-[(3-chlorophenyl)methyl]-8-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | K788-8357 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-8-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 624.08 |
| Molecular Formula: | C32 H25 Cl F3 N3 O3 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.5276 |
| logD: | 5.5276 |
| logSw: | -5.9583 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.693 |
| InChI Key: | NOPORHHVDFDHCM-UHFFFAOYSA-N |