5-[4-(2,5-dimethylphenyl)-5-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole
Chemical Structure Depiction of
5-[4-(2,5-dimethylphenyl)-5-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole
5-[4-(2,5-dimethylphenyl)-5-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole
Compound characteristics
| Compound ID: | C795-1143 |
| Compound Name: | 5-[4-(2,5-dimethylphenyl)-5-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole |
| Molecular Weight: | 525.69 |
| Molecular Formula: | C29 H27 N5 O S2 |
| Smiles: | Cc1ccc(cc1)c1nc(CSc2nnc(c3cc4c(ccs4)n3C)n2c2cc(C)ccc2C)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 7.2404 |
| logD: | 7.2404 |
| logSw: | -5.6261 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.088 |
| InChI Key: | NMRMIJOGGGOTRW-UHFFFAOYSA-N |