N,N-dimethyl-4-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
Chemical Structure Depiction of
N,N-dimethyl-4-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
N,N-dimethyl-4-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
Compound characteristics
| Compound ID: | D684-0348 |
| Compound Name: | N,N-dimethyl-4-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C20 H26 N8 O S |
| Smiles: | Cc1ccccc1OCCSc1ncn(c2nc(nc(n2)N2CCCC2)N(C)C)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.1789 |
| logD: | 5.1749 |
| logSw: | -5.0953 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.403 |
| InChI Key: | XZTOVXMFQCZEKB-UHFFFAOYSA-N |