4-cyclopropyl-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-cyclopropyl-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol
4-cyclopropyl-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
Compound ID: | 8018-6603 |
Compound Name: | 4-cyclopropyl-5-{[5-methyl-2-(propan-2-yl)phenoxy]methyl}-4H-1,2,4-triazole-3-thiol |
Molecular Weight: | 303.42 |
Molecular Formula: | C16 H21 N3 O S |
Smiles: | CC(C)c1ccc(C)cc1OCc1nnc(n1C1CC1)S |
Stereo: | ACHIRAL |
logP: | 3.6884 |
logD: | 3.5996 |
logSw: | -3.7767 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 32.184 |
InChI Key: | CNHDWTHSSIOTMN-UHFFFAOYSA-N |