6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~2~,N~2~,N~4~,N~4~-tetramethyl-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~2~,N~2~,N~4~,N~4~-tetramethyl-1,3,5-triazine-2,4-diamine
6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~2~,N~2~,N~4~,N~4~-tetramethyl-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | D684-0283 |
| Compound Name: | 6-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-N~2~,N~2~,N~4~,N~4~-tetramethyl-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 390.9 |
| Molecular Formula: | C16 H19 Cl N8 S |
| Smiles: | CN(C)c1nc(nc(n1)n1cnc(n1)SCc1ccc(cc1)[Cl])N(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.4545 |
| logD: | 4.4349 |
| logSw: | -4.5944 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.885 |
| InChI Key: | CMMPOOFBEZGFLK-UHFFFAOYSA-N |