2-{[4-(3,5-dichlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
Chemical Structure Depiction of
2-{[4-(3,5-dichlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
2-{[4-(3,5-dichlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 8017-3258 |
| Compound Name: | 2-{[4-(3,5-dichlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one |
| Molecular Weight: | 404.28 |
| Molecular Formula: | C17 H11 Cl2 N5 O S |
| Smiles: | C(c1nnc(n1c1cc(cc(c1)[Cl])[Cl])S)N1C(c2ccccc2C=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5944 |
| logD: | 1.3352 |
| logSw: | -3.5767 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.697 |
| InChI Key: | LFWFLLCLZQHDTD-UHFFFAOYSA-N |