2-{[4-(2H-1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
Chemical Structure Depiction of
2-{[4-(2H-1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
2-{[4-(2H-1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 7832-0022 |
| Compound Name: | 2-{[4-(2H-1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one |
| Molecular Weight: | 379.4 |
| Molecular Formula: | C18 H13 N5 O3 S |
| Smiles: | C(c1nnc(n1c1ccc2c(c1)OCO2)S)N1C(c2ccccc2C=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2244 |
| logD: | -0.0349 |
| logSw: | -2.4183 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.813 |
| InChI Key: | CZVXWCDURHACFA-UHFFFAOYSA-N |