4-(azepan-1-yl)-N,N-dimethyl-6-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
Chemical Structure Depiction of
4-(azepan-1-yl)-N,N-dimethyl-6-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
4-(azepan-1-yl)-N,N-dimethyl-6-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
Compound characteristics
| Compound ID: | D684-0366 |
| Compound Name: | 4-(azepan-1-yl)-N,N-dimethyl-6-(3-{[2-(2-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine |
| Molecular Weight: | 454.6 |
| Molecular Formula: | C22 H30 N8 O S |
| Smiles: | Cc1ccccc1OCCSc1ncn(c2nc(nc(n2)N2CCCCCC2)N(C)C)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.0074 |
| logD: | 6.0051 |
| logSw: | -5.5893 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.368 |
| InChI Key: | BLGAMRQCRIWJSA-UHFFFAOYSA-N |