N-(4-methoxyphenyl)-2-{[5-{[(naphthalen-2-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-2-{[5-{[(naphthalen-2-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-methoxyphenyl)-2-{[5-{[(naphthalen-2-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y501-0910 |
| Compound Name: | N-(4-methoxyphenyl)-2-{[5-{[(naphthalen-2-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C25 H24 N4 O3 S |
| Smiles: | COc1ccc(cc1)NC(CSc1nnc(COc2ccc3ccccc3c2)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6313 |
| logD: | 4.6313 |
| logSw: | -5.1541 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.116 |
| InChI Key: | ZYQRSDJLFFEBQP-UHFFFAOYSA-N |