4-{[4-butyl-8-chloro-7-(4-ethylpiperazin-1-yl)-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-(4-ethylpiperazin-1-yl)-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-(4-ethylpiperazin-1-yl)-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: | 8610-0231 |
| Compound Name: | 4-{[4-butyl-8-chloro-7-(4-ethylpiperazin-1-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-pyrido[4,3-b][1,4]thiazin-5-yl]oxy}benzonitrile |
| Molecular Weight: | 504.05 |
| Molecular Formula: | C24 H30 Cl N5 O3 S |
| Smiles: | CCCCN1CCS(c2c1c(nc(c2[Cl])N1CCN(CC)CC1)Oc1ccc(C#N)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3535 |
| logD: | 4.035 |
| logSw: | -4.6845 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.834 |
| InChI Key: | JZMZWJWRFUTCLI-UHFFFAOYSA-N |