5-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
5-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8018-0018 |
| Compound Name: | 5-[(4-chlorophenyl)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 359.83 |
| Molecular Formula: | C17 H14 Cl N3 O2 S |
| Smiles: | C(c1ccc(cc1)[Cl])c1nnc(n1c1ccc2c(c1)OCCO2)S |
| Stereo: | ACHIRAL |
| logP: | 2.6086 |
| logD: | 1.3493 |
| logSw: | -3.1474 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.257 |
| InChI Key: | TWAWZXAFRHLNDM-UHFFFAOYSA-N |