methyl 10-{[5-methyl-2-(thiophen-2-yl)-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
methyl 10-{[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-{[5-methyl-2-(thiophen-2-yl)-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: | F089-0103 |
| Compound Name: | methyl 10-{[5-methyl-2-(thiophen-2-yl)-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: | 494.54 |
| Molecular Formula: | C24 H18 N2 O6 S2 |
| Smiles: | Cc1c(CN2C(c3ccccc3S(c3ccc(cc23)C(=O)OC)(=O)=O)=O)nc(c2cccs2)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.9565 |
| logD: | 3.9565 |
| logSw: | -4.1523 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.695 |
| InChI Key: | GLWXWMUJQBXWQV-UHFFFAOYSA-N |