ethyl 10-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
ethyl 10-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
ethyl 10-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0126 |
| Compound Name: | ethyl 10-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C27 H26 N2 O4 S |
| Smiles: | CCc1cccc(C)c1NC(CN1C(c2ccccc2Sc2ccc(cc12)C(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9031 |
| logD: | 5.903 |
| logSw: | -5.4083 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.908 |
| InChI Key: | KTTZEGQLQIPNOV-UHFFFAOYSA-N |