6-[4-(2H-1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one
Chemical Structure Depiction of
6-[4-(2H-1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one
6-[4-(2H-1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | 8018-4111 |
| Compound Name: | 6-[4-(2H-1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one |
| Molecular Weight: | 315.31 |
| Molecular Formula: | C13 H9 N5 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)n1c(C2C=CC(NN=2)=O)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.4282 |
| logD: | 1.2801 |
| logSw: | -2.0933 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.982 |
| InChI Key: | NVLBJDLOOFVAIZ-UHFFFAOYSA-N |