ethyl 5,5,11-trioxo-10-{[3-(trifluoromethyl)phenyl]methyl}-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
ethyl 5,5,11-trioxo-10-{[3-(trifluoromethyl)phenyl]methyl}-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
ethyl 5,5,11-trioxo-10-{[3-(trifluoromethyl)phenyl]methyl}-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F037-0074 |
| Compound Name: | ethyl 5,5,11-trioxo-10-{[3-(trifluoromethyl)phenyl]methyl}-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 489.47 |
| Molecular Formula: | C24 H18 F3 N O5 S |
| Smiles: | CCOC(c1ccc2c(c1)N(Cc1cccc(c1)C(F)(F)F)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9757 |
| logD: | 4.9757 |
| logSw: | -4.6348 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.134 |
| InChI Key: | HJERCWYITZGPDA-UHFFFAOYSA-N |