methyl 10-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 10-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0237 |
| Compound Name: | methyl 10-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C25 H22 N2 O5 S |
| Smiles: | Cc1ccc(c(c1)NC(CN1C(c2ccccc2Sc2ccc(cc12)C(=O)OC)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5606 |
| logD: | 4.5606 |
| logSw: | -4.364 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.656 |
| InChI Key: | YINYMAPSHLULFK-UHFFFAOYSA-N |