methyl 10-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 10-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0260 |
| Compound Name: | methyl 10-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 470.91 |
| Molecular Formula: | C23 H16 Cl F N2 O4 S |
| Smiles: | COC(c1ccc2c(c1)N(CC(Nc1ccc(c(c1)[Cl])F)=O)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4539 |
| logD: | 5.4446 |
| logSw: | -5.7391 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.724 |
| InChI Key: | AFMCMGRWZRDMCI-UHFFFAOYSA-N |