2-{2-[4-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}phthalazin-1(2H)-one
Chemical Structure Depiction of
2-{2-[4-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}phthalazin-1(2H)-one
2-{2-[4-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 8019-9510 |
| Compound Name: | 2-{2-[4-(pyridin-3-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}phthalazin-1(2H)-one |
| Molecular Weight: | 350.4 |
| Molecular Formula: | C17 H14 N6 O S |
| Smiles: | C(CN1C(c2ccccc2C=N1)=O)c1nnc(n1c1cccnc1)S |
| Stereo: | ACHIRAL |
| logP: | 0.5735 |
| logD: | -0.4114 |
| logSw: | -1.4485 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.193 |
| InChI Key: | SBBTUWDPIMUAEW-UHFFFAOYSA-N |