methyl 3-({8-chloro-7-fluoro-1,1-dioxo-4-[(pyridin-3-yl)methyl]-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl}oxy)benzoate
Chemical Structure Depiction of
methyl 3-({8-chloro-7-fluoro-1,1-dioxo-4-[(pyridin-3-yl)methyl]-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl}oxy)benzoate
methyl 3-({8-chloro-7-fluoro-1,1-dioxo-4-[(pyridin-3-yl)methyl]-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl}oxy)benzoate
Compound characteristics
| Compound ID: | 8610-0260 |
| Compound Name: | methyl 3-({8-chloro-7-fluoro-1,1-dioxo-4-[(pyridin-3-yl)methyl]-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl}oxy)benzoate |
| Molecular Weight: | 477.9 |
| Molecular Formula: | C21 H17 Cl F N3 O5 S |
| Smiles: | COC(c1cccc(c1)Oc1c2c(c(c(n1)F)[Cl])S(CCN2Cc1cccnc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0508 |
| logD: | 3.0486 |
| logSw: | -3.8732 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.949 |
| InChI Key: | DMPZJIAYBPAVBC-UHFFFAOYSA-N |