ethyl 5-[4-methoxy-3-(3-methyl-3,4-dihydro-1,5-benzothiazepine-5(2H)-sulfonyl)phenyl]-1,2-oxazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[4-methoxy-3-(3-methyl-3,4-dihydro-1,5-benzothiazepine-5(2H)-sulfonyl)phenyl]-1,2-oxazole-3-carboxylate
ethyl 5-[4-methoxy-3-(3-methyl-3,4-dihydro-1,5-benzothiazepine-5(2H)-sulfonyl)phenyl]-1,2-oxazole-3-carboxylate
Compound characteristics
| Compound ID: | G115-0631 |
| Compound Name: | ethyl 5-[4-methoxy-3-(3-methyl-3,4-dihydro-1,5-benzothiazepine-5(2H)-sulfonyl)phenyl]-1,2-oxazole-3-carboxylate |
| Molecular Weight: | 488.58 |
| Molecular Formula: | C23 H24 N2 O6 S2 |
| Smiles: | CCOC(c1cc(c2ccc(c(c2)S(N2CC(C)CSc3ccccc23)(=O)=O)OC)on1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5835 |
| logD: | 4.5835 |
| logSw: | -4.3691 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.575 |
| InChI Key: | DJHIXTLJKRERSM-HNNXBMFYSA-N |