N~2~-(3-chloro-2-methylphenyl)-6-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
N~2~-(3-chloro-2-methylphenyl)-6-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine
N~2~-(3-chloro-2-methylphenyl)-6-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | Y508-3395 |
| Compound Name: | N~2~-(3-chloro-2-methylphenyl)-6-{[(4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 348.81 |
| Molecular Formula: | C13 H13 Cl N8 S |
| Smiles: | Cc1c(cccc1[Cl])Nc1nc(CSc2nnc[nH]2)nc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.3866 |
| logD: | 2.0213 |
| logSw: | -2.976 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 95.064 |
| InChI Key: | DLBYQRUAQWDKFD-UHFFFAOYSA-N |