({5-[(4-chlorophenoxy)methyl]-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Chemical Structure Depiction of
({5-[(4-chlorophenoxy)methyl]-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
({5-[(4-chlorophenoxy)methyl]-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Compound characteristics
| Compound ID: | C663-0651 |
| Compound Name: | ({5-[(4-chlorophenoxy)methyl]-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid |
| Molecular Weight: | 353.83 |
| Molecular Formula: | C15 H16 Cl N3 O3 S |
| Smiles: | CC(=C)Cn1c(COc2ccc(cc2)[Cl])nnc1SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.722 |
| logD: | -0.5705 |
| logSw: | -3.0063 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.371 |
| InChI Key: | WRFVJXRNAQKWMN-UHFFFAOYSA-N |