methyl 10-{[2-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-{[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0197 |
| Compound Name: | methyl 10-{[2-(2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 484.57 |
| Molecular Formula: | C28 H24 N2 O4 S |
| Smiles: | Cc1ccc(C)c(c1)c1nc(CN2C(c3ccccc3Sc3ccc(cc23)C(=O)OC)=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 6.4923 |
| logD: | 6.4923 |
| logSw: | -5.5878 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.696 |
| InChI Key: | LYBPURZCNOBGQD-UHFFFAOYSA-N |