2-{2-[4-(2-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}phthalazin-1(2H)-one
Chemical Structure Depiction of
2-{2-[4-(2-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}phthalazin-1(2H)-one
2-{2-[4-(2-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 8017-8178 |
| Compound Name: | 2-{2-[4-(2-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}phthalazin-1(2H)-one |
| Molecular Weight: | 363.44 |
| Molecular Formula: | C19 H17 N5 O S |
| Smiles: | Cc1ccccc1n1c(CCN2C(c3ccccc3C=N2)=O)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.0359 |
| logD: | -0.1712 |
| logSw: | -2.543 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.375 |
| InChI Key: | CIMDQRPBOGUQID-UHFFFAOYSA-N |