methyl 10-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 10-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0246 |
| Compound Name: | methyl 10-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 482.94 |
| Molecular Formula: | C24 H19 Cl N2 O5 S |
| Smiles: | COC(c1ccc2c(c1)N(CC(Nc1ccc(c(c1)[Cl])OC)=O)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2343 |
| logD: | 5.234 |
| logSw: | -5.4206 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.354 |
| InChI Key: | YZMPVHPHLRHMBU-UHFFFAOYSA-N |