methyl 11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | K783-6958 |
| Compound Name: | methyl 11-oxo-10-{[4-(trifluoromethyl)phenyl]methyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 443.44 |
| Molecular Formula: | C23 H16 F3 N O3 S |
| Smiles: | COC(c1ccc2c(c1)N(Cc1ccc(cc1)C(F)(F)F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1906 |
| logD: | 6.1906 |
| logSw: | -5.5725 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 36.574 |
| InChI Key: | RKSMAJYUZJEYNZ-UHFFFAOYSA-N |