4-[(4-butyl-8-chloro-7-fluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl)oxy]benzonitrile
Chemical Structure Depiction of
4-[(4-butyl-8-chloro-7-fluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl)oxy]benzonitrile
4-[(4-butyl-8-chloro-7-fluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl)oxy]benzonitrile
Compound characteristics
| Compound ID: | 8610-0054 |
| Compound Name: | 4-[(4-butyl-8-chloro-7-fluoro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl)oxy]benzonitrile |
| Molecular Weight: | 409.86 |
| Molecular Formula: | C18 H17 Cl F N3 O3 S |
| Smiles: | CCCCN1CCS(c2c1c(nc(c2[Cl])F)Oc1ccc(C#N)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0174 |
| logD: | 4.0174 |
| logSw: | -4.6985 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.563 |
| InChI Key: | DHKXVRDOZFGJDO-UHFFFAOYSA-N |