methyl 10-[2-(2,6-dimethylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 10-[2-(2,6-dimethylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-[2-(2,6-dimethylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0241 |
| Compound Name: | methyl 10-[2-(2,6-dimethylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C25 H22 N2 O4 S |
| Smiles: | Cc1cccc(C)c1NC(CN1C(c2ccccc2Sc2ccc(cc12)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9084 |
| logD: | 4.9084 |
| logSw: | -4.5176 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.328 |
| InChI Key: | DUYZEAWSEJZIKZ-UHFFFAOYSA-N |