methyl 10-{2-[methyl(phenyl)amino]-2-oxoethyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 10-{2-[methyl(phenyl)amino]-2-oxoethyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-{2-[methyl(phenyl)amino]-2-oxoethyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | F089-0081 |
| Compound Name: | methyl 10-{2-[methyl(phenyl)amino]-2-oxoethyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C24 H20 N2 O6 S |
| Smiles: | CN(C(CN1C(c2ccccc2S(c2ccc(cc12)C(=O)OC)(=O)=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2894 |
| logD: | 2.2894 |
| logSw: | -3.0766 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.668 |
| InChI Key: | AQVBSDSOZUETKT-UHFFFAOYSA-N |