5-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
5-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8020-0933 |
| Compound Name: | 5-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 275.33 |
| Molecular Formula: | C13 H13 N3 O2 S |
| Smiles: | C1CC1c1nnc(n1c1ccc2c(c1)OCCO2)S |
| Stereo: | ACHIRAL |
| logP: | 1.3903 |
| logD: | 0.131 |
| logSw: | -1.8214 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.804 |
| InChI Key: | IQDJSSHFMJHZAE-UHFFFAOYSA-N |