2-{2-[5-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]ethyl}phenol
Chemical Structure Depiction of
2-{2-[5-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]ethyl}phenol
2-{2-[5-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]ethyl}phenol
Compound characteristics
| Compound ID: | 8016-3109 |
| Compound Name: | 2-{2-[5-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]ethyl}phenol |
| Molecular Weight: | 448.55 |
| Molecular Formula: | C22 H24 N8 O S |
| Smiles: | CN(C)c1nc(CSc2nnc(CCc3ccccc3O)n2c2ccccc2)nc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4276 |
| logD: | 3.4256 |
| logSw: | -3.3445 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.291 |
| InChI Key: | OHFIWYUGZMKHOZ-UHFFFAOYSA-N |