N~4~-(butan-2-yl)-6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~2~,N~2~-dimethyl-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
N~4~-(butan-2-yl)-6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~2~,N~2~-dimethyl-1,3,5-triazine-2,4-diamine
N~4~-(butan-2-yl)-6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~2~,N~2~-dimethyl-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | D684-0319 |
| Compound Name: | N~4~-(butan-2-yl)-6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~2~,N~2~-dimethyl-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 418.95 |
| Molecular Formula: | C18 H23 Cl N8 S |
| Smiles: | CCC(C)Nc1nc(nc(n1)n1cnc(n1)SCc1ccc(cc1)[Cl])N(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9878 |
| logD: | 4.9723 |
| logSw: | -5.0066 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.235 |
| InChI Key: | ZKEOJJBZMBZXEA-LBPRGKRZSA-N |