2-(3-chloro-4-methoxyphenyl)-1-{4-[5-(propan-2-yl)[1,2,4]triazolo[4,3-a]pyrimidin-7-yl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(3-chloro-4-methoxyphenyl)-1-{4-[5-(propan-2-yl)[1,2,4]triazolo[4,3-a]pyrimidin-7-yl]piperazin-1-yl}ethan-1-one
2-(3-chloro-4-methoxyphenyl)-1-{4-[5-(propan-2-yl)[1,2,4]triazolo[4,3-a]pyrimidin-7-yl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | P664-1335 |
| Compound Name: | 2-(3-chloro-4-methoxyphenyl)-1-{4-[5-(propan-2-yl)[1,2,4]triazolo[4,3-a]pyrimidin-7-yl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 428.92 |
| Molecular Formula: | C21 H25 Cl N6 O2 |
| Smiles: | CC(C)c1cc(nc2nncn12)N1CCN(CC1)C(Cc1ccc(c(c1)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0545 |
| logD: | 3.0545 |
| logSw: | -3.3298 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.647 |
| InChI Key: | IWMRGBVABDYSCH-UHFFFAOYSA-N |