N~4~-(butan-2-yl)-N~2~,N~2~-dimethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
N~4~-(butan-2-yl)-N~2~,N~2~-dimethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
N~4~-(butan-2-yl)-N~2~,N~2~-dimethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | D684-0322 |
| Compound Name: | N~4~-(butan-2-yl)-N~2~,N~2~-dimethyl-6-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 428.56 |
| Molecular Formula: | C20 H28 N8 O S |
| Smiles: | CCC(C)Nc1nc(nc(n1)n1cnc(n1)SCCOc1ccc(C)cc1)N(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9693 |
| logD: | 4.9537 |
| logSw: | -4.5636 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.653 |
| InChI Key: | ICJIAWJMTHQSKD-HNNXBMFYSA-N |