methyl 10-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 10-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0206 |
| Compound Name: | methyl 10-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 486.55 |
| Molecular Formula: | C27 H22 N2 O5 S |
| Smiles: | Cc1c(CN2C(c3ccccc3Sc3ccc(cc23)C(=O)OC)=O)nc(c2ccc(cc2)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.7067 |
| logD: | 5.7067 |
| logSw: | -5.4334 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.24 |
| InChI Key: | ZJVVWGOBALTOOC-UHFFFAOYSA-N |