6-({[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~2~-methyl-N~2~-phenyl-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
6-({[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~2~-methyl-N~2~-phenyl-1,3,5-triazine-2,4-diamine
6-({[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~2~-methyl-N~2~-phenyl-1,3,5-triazine-2,4-diamine
Compound characteristics
| Compound ID: | 8016-9676 |
| Compound Name: | 6-({[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N~2~-methyl-N~2~-phenyl-1,3,5-triazine-2,4-diamine |
| Molecular Weight: | 422.49 |
| Molecular Formula: | C20 H19 F N8 S |
| Smiles: | CN(c1ccccc1)c1nc(CSc2nnc(c3ccc(cc3)F)n2C)nc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3571 |
| logD: | 3.3102 |
| logSw: | -3.5511 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.474 |
| InChI Key: | ZOOWSGCUNTZQPD-UHFFFAOYSA-N |