1-(4-methoxyphenyl)-2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(4-methoxyphenyl)-2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(4-methoxyphenyl)-2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | V009-9459 |
| Compound Name: | 1-(4-methoxyphenyl)-2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C22 H19 N3 O2 S2 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)n1c(c2cccs2)nnc1SCC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0852 |
| logD: | 5.0851 |
| logSw: | -4.9667 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.522 |
| InChI Key: | MQCIYDFWIHFLFY-UHFFFAOYSA-N |