N-(4-methoxyphenyl)-2-{[5-{[(naphthalen-1-yl)amino]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-1-yl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-methoxyphenyl)-2-{[5-{[(naphthalen-1-yl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y500-5591 |
| Compound Name: | N-(4-methoxyphenyl)-2-{[5-{[(naphthalen-1-yl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C25 H25 N5 O2 S |
| Smiles: | COc1ccc(cc1)NC(CSc1nnc(CNc2cccc3ccccc23)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3659 |
| logD: | 4.3659 |
| logSw: | -4.3619 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.425 |
| InChI Key: | XFMJRLDULFIELC-UHFFFAOYSA-N |