methyl 4-{[8-chloro-4-cyclohexyl-1,1-dioxo-7-(pyrrolidin-1-yl)-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl]oxy}benzoate
Chemical Structure Depiction of
methyl 4-{[8-chloro-4-cyclohexyl-1,1-dioxo-7-(pyrrolidin-1-yl)-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl]oxy}benzoate
methyl 4-{[8-chloro-4-cyclohexyl-1,1-dioxo-7-(pyrrolidin-1-yl)-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl]oxy}benzoate
Compound characteristics
| Compound ID: | 8610-0140 |
| Compound Name: | methyl 4-{[8-chloro-4-cyclohexyl-1,1-dioxo-7-(pyrrolidin-1-yl)-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl]oxy}benzoate |
| Molecular Weight: | 520.05 |
| Molecular Formula: | C25 H30 Cl N3 O5 S |
| Smiles: | COC(c1ccc(cc1)Oc1c2c(c(c(n1)N1CCCC1)[Cl])S(CCN2C1CCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7069 |
| logD: | 5.7069 |
| logSw: | -5.907 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.918 |
| InChI Key: | UZWVPKGRMGKLEP-UHFFFAOYSA-N |