2-{2-[4-(3,5-dichlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}phthalazin-1(2H)-one
Chemical Structure Depiction of
2-{2-[4-(3,5-dichlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}phthalazin-1(2H)-one
2-{2-[4-(3,5-dichlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 8017-9653 |
| Compound Name: | 2-{2-[4-(3,5-dichlorophenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}phthalazin-1(2H)-one |
| Molecular Weight: | 418.3 |
| Molecular Formula: | C18 H13 Cl2 N5 O S |
| Smiles: | C(CN1C(c2ccccc2C=N1)=O)c1nnc(n1c1cc(cc(c1)[Cl])[Cl])S |
| Stereo: | ACHIRAL |
| logP: | 2.972 |
| logD: | 1.7128 |
| logSw: | -3.6849 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.675 |
| InChI Key: | SHGCVGIGKWITNC-UHFFFAOYSA-N |