methyl 10-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 10-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0214 |
| Compound Name: | methyl 10-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 466.94 |
| Molecular Formula: | C24 H19 Cl N2 O4 S |
| Smiles: | Cc1c(cccc1[Cl])NC(CN1C(c2ccccc2Sc2ccc(cc12)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5311 |
| logD: | 5.5308 |
| logSw: | -5.6984 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.026 |
| InChI Key: | PCTNCQRYJPLDGF-UHFFFAOYSA-N |