methyl 11-oxo-10-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 11-oxo-10-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 11-oxo-10-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0227 |
| Compound Name: | methyl 11-oxo-10-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C26 H24 N2 O4 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CN1C(c2ccccc2Sc2ccc(cc12)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0619 |
| logD: | 6.0619 |
| logSw: | -5.4819 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.724 |
| InChI Key: | ZVHKAJKTFNWKBR-UHFFFAOYSA-N |