2-{[4-(2-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
Chemical Structure Depiction of
2-{[4-(2-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
2-{[4-(2-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 8015-7399 |
| Compound Name: | 2-{[4-(2-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: | Cc1ccccc1n1c(CN2C(c3ccccc3C=N2)=O)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.6583 |
| logD: | -0.5488 |
| logSw: | -2.6143 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.396 |
| InChI Key: | BWYZGMMCGIJOCE-UHFFFAOYSA-N |