(5-methylthiophen-2-yl){4-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}methanone
Chemical Structure Depiction of
(5-methylthiophen-2-yl){4-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}methanone
(5-methylthiophen-2-yl){4-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}methanone
Compound characteristics
| Compound ID: | T630-2745 |
| Compound Name: | (5-methylthiophen-2-yl){4-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}methanone |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C18 H19 N5 O S |
| Smiles: | Cc1ccc(C(N2CCC(CC2)c2nnc(c3ccncc3)[nH]2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.3651 |
| logD: | 2.3486 |
| logSw: | -2.3609 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.847 |
| InChI Key: | YSHGSHRAERUHSF-UHFFFAOYSA-N |