methyl 4-{[4-butyl-8-chloro-5-(4-fluorophenoxy)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-7-yl]oxy}benzoate
Chemical Structure Depiction of
methyl 4-{[4-butyl-8-chloro-5-(4-fluorophenoxy)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-7-yl]oxy}benzoate
methyl 4-{[4-butyl-8-chloro-5-(4-fluorophenoxy)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-7-yl]oxy}benzoate
Compound characteristics
| Compound ID: | 8610-0116 |
| Compound Name: | methyl 4-{[4-butyl-8-chloro-5-(4-fluorophenoxy)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-7-yl]oxy}benzoate |
| Molecular Weight: | 534.99 |
| Molecular Formula: | C25 H24 Cl F N2 O6 S |
| Smiles: | CCCCN1CCS(c2c1c(nc(c2[Cl])Oc1ccc(cc1)C(=O)OC)Oc1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0644 |
| logD: | 6.0644 |
| logSw: | -6.1165 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.534 |
| InChI Key: | DKYRINZWBHCOIO-UHFFFAOYSA-N |