8-chloro-4-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-5-[(prop-2-yn-1-yl)oxy]-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione
Chemical Structure Depiction of
8-chloro-4-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-5-[(prop-2-yn-1-yl)oxy]-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione
8-chloro-4-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-5-[(prop-2-yn-1-yl)oxy]-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | 8610-0283 |
| Compound Name: | 8-chloro-4-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-5-[(prop-2-yn-1-yl)oxy]-3,4-dihydro-1lambda~6~-pyrido[4,3-b][1,4]thiazine-1,1(2H)-dione |
| Molecular Weight: | 454.9 |
| Molecular Formula: | C20 H20 Cl F N2 O5 S |
| Smiles: | COc1ccc(CCN2CCS(c3c2c(nc(c3[Cl])F)OCC#C)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.7617 |
| logD: | 2.7617 |
| logSw: | -3.7001 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.166 |
| InChI Key: | WQIYXUHCNQWYQS-UHFFFAOYSA-N |