2-{[4-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
Chemical Structure Depiction of
2-{[4-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
2-{[4-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 7832-0062 |
| Compound Name: | 2-{[4-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one |
| Molecular Weight: | 349.41 |
| Molecular Formula: | C18 H15 N5 O S |
| Smiles: | Cc1ccc(cc1)n1c(CN2C(c3ccccc3C=N2)=O)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.7227 |
| logD: | 0.4634 |
| logSw: | -2.6564 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.697 |
| InChI Key: | PRCMIDOWZXSBCE-UHFFFAOYSA-N |