2-{[5-(2-chloro-4-methylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(dibenzo[b,d]furan-2-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-chloro-4-methylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(dibenzo[b,d]furan-2-yl)ethan-1-one
2-{[5-(2-chloro-4-methylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(dibenzo[b,d]furan-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8018-0391 |
| Compound Name: | 2-{[5-(2-chloro-4-methylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(dibenzo[b,d]furan-2-yl)ethan-1-one |
| Molecular Weight: | 447.94 |
| Molecular Formula: | C24 H18 Cl N3 O2 S |
| Smiles: | Cc1ccc(c(c1)[Cl])c1nnc(n1C)SCC(c1ccc2c(c1)c1ccccc1o2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3342 |
| logD: | 6.3342 |
| logSw: | -6.159 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.213 |
| InChI Key: | ZJFYPKZTWWJEET-UHFFFAOYSA-N |