2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-1-yl)ethan-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-(naphthalen-1-yl)ethan-1-one
2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8009-2599 |
| Compound Name: | 2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-1-yl)ethan-1-one |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C24 H21 N3 O2 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1CC=C)SCC(c1cccc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.249 |
| logD: | 5.249 |
| logSw: | -5.914 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.738 |
| InChI Key: | AIENSIKABUGOGU-UHFFFAOYSA-N |