2-{[4-(3-chloro-4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
Chemical Structure Depiction of
2-{[4-(3-chloro-4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
2-{[4-(3-chloro-4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 7832-0024 |
| Compound Name: | 2-{[4-(3-chloro-4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one |
| Molecular Weight: | 387.82 |
| Molecular Formula: | C17 H11 Cl F N5 O S |
| Smiles: | C(c1nnc(n1c1ccc(c(c1)[Cl])F)S)N1C(c2ccccc2C=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8634 |
| logD: | 0.6041 |
| logSw: | -3.2437 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.697 |
| InChI Key: | FSQJVHRINDEYTQ-UHFFFAOYSA-N |