ethyl 10-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
ethyl 10-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
ethyl 10-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F037-0059 |
| Compound Name: | ethyl 10-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 536.99 |
| Molecular Formula: | C27 H21 Cl N2 O6 S |
| Smiles: | CCOC(c1ccc2c(c1)N(Cc1c(C)oc(c3ccc(cc3)[Cl])n1)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2202 |
| logD: | 5.2202 |
| logSw: | -5.4443 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.257 |
| InChI Key: | YXORDXNLGGIFSO-UHFFFAOYSA-N |