ethyl 10-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
ethyl 10-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
ethyl 10-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0129 |
| Compound Name: | ethyl 10-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 496.97 |
| Molecular Formula: | C25 H21 Cl N2 O5 S |
| Smiles: | CCOC(c1ccc2c(c1)N(CC(Nc1cc(ccc1OC)[Cl])=O)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4872 |
| logD: | 5.4831 |
| logSw: | -5.7603 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.236 |
| InChI Key: | PHPFMRXKCPQSCI-UHFFFAOYSA-N |