methyl 10-[2-(2,5-difluoroanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Chemical Structure Depiction of
methyl 10-[2-(2,5-difluoroanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
methyl 10-[2-(2,5-difluoroanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate
Compound characteristics
| Compound ID: | G599-0265 |
| Compound Name: | methyl 10-[2-(2,5-difluoroanilino)-2-oxoethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylate |
| Molecular Weight: | 454.45 |
| Molecular Formula: | C23 H16 F2 N2 O4 S |
| Smiles: | COC(c1ccc2c(c1)N(CC(Nc1cc(ccc1F)F)=O)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.891 |
| logD: | 4.8796 |
| logSw: | -4.5279 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.026 |
| InChI Key: | JKNPMKKACICXJO-UHFFFAOYSA-N |