methyl 10-{[3-(ethoxycarbonyl)-1,2-oxazol-5-yl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 10-{[3-(ethoxycarbonyl)-1,2-oxazol-5-yl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-{[3-(ethoxycarbonyl)-1,2-oxazol-5-yl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0204 |
| Compound Name: | methyl 10-{[3-(ethoxycarbonyl)-1,2-oxazol-5-yl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C22 H18 N2 O6 S |
| Smiles: | CCOC(c1cc(CN2C(c3ccccc3Sc3ccc(cc23)C(=O)OC)=O)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4215 |
| logD: | 4.4215 |
| logSw: | -4.3386 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.305 |
| InChI Key: | BPHMPHNSDRRCIN-UHFFFAOYSA-N |