2-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-4,6-di(piperidin-1-yl)-1,3,5-triazine
Chemical Structure Depiction of
2-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-4,6-di(piperidin-1-yl)-1,3,5-triazine
2-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-4,6-di(piperidin-1-yl)-1,3,5-triazine
Compound characteristics
| Compound ID: | D441-0055 |
| Compound Name: | 2-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-4,6-di(piperidin-1-yl)-1,3,5-triazine |
| Molecular Weight: | 480.63 |
| Molecular Formula: | C24 H32 N8 O S |
| Smiles: | Cc1ccc(cc1)OCCSc1ncn(c2nc(nc(n2)N2CCCCC2)N2CCCCC2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.6121 |
| logD: | 6.612 |
| logSw: | -5.7598 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.598 |
| InChI Key: | KMHDKZSVHZSDPT-UHFFFAOYSA-N |