N-(3-methylphenyl)-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-(3-methylphenyl)-2-{[5-{[(naphthalen-2-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-methylphenyl)-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: | Y501-0909 |
| Compound Name: | N-(3-methylphenyl)-2-{[5-{[(naphthalen-2-yl)oxy]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C25 H24 N4 O2 S |
| Smiles: | Cc1cccc(c1)NC(CSc1nnc(COc2ccc3ccccc3c2)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0089 |
| logD: | 5.0089 |
| logSw: | -5.4648 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.572 |
| InChI Key: | AHISMWKYQQHRCZ-UHFFFAOYSA-N |