(oxolan-2-yl)methyl 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
(oxolan-2-yl)methyl 5,5,11-trioxo-10-{[3-(trifluoromethyl)phenyl]methyl}-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
(oxolan-2-yl)methyl 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: | F037-0466 |
| Compound Name: | (oxolan-2-yl)methyl 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: | 545.53 |
| Molecular Formula: | C27 H22 F3 N O6 S |
| Smiles: | C1CC(COC(c2ccc3c(c2)N(Cc2cccc(c2)C(F)(F)F)C(c2ccccc2S3(=O)=O)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5523 |
| logD: | 4.5523 |
| logSw: | -4.5777 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.893 |
| InChI Key: | VPZOWFPXNHSYGO-HXUWFJFHSA-N |