2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | 8008-1827 |
| Compound Name: | 2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 365.45 |
| Molecular Formula: | C20 H19 N3 O2 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1CC=C)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0457 |
| logD: | 4.0457 |
| logSw: | -4.1696 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.01 |
| InChI Key: | MMOQAEIRXDWIAK-UHFFFAOYSA-N |