1-(9H-fluoren-2-yl)-2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(9H-fluoren-2-yl)-2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(9H-fluoren-2-yl)-2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8008-4323 |
| Compound Name: | 1-(9H-fluoren-2-yl)-2-{[5-(3-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C27 H23 N3 O2 S |
| Smiles: | COc1cccc(c1)c1nnc(n1CC=C)SCC(c1ccc2c(Cc3ccccc23)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5443 |
| logD: | 6.5443 |
| logSw: | -5.7731 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.025 |
| InChI Key: | URSWXYPIONRFIY-UHFFFAOYSA-N |