5-[4-(2,5-dimethylphenyl)-5-({[5-methyl-2-(thiophen-2-yl)-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-(thiophen-2-yl)-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-(thiophen-2-yl)-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: | C795-1147 |
| Compound Name: | 5-[4-(2,5-dimethylphenyl)-5-({[5-methyl-2-(thiophen-2-yl)-1,3-oxazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-4-methyl-4H-thieno[3,2-b]pyrrole |
| Molecular Weight: | 517.69 |
| Molecular Formula: | C26 H23 N5 O S3 |
| Smiles: | Cc1ccc(C)c(c1)n1c(c2cc3c(ccs3)n2C)nnc1SCc1c(C)oc(c2cccs2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.6587 |
| logD: | 6.6586 |
| logSw: | -5.6938 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.106 |
| InChI Key: | BXNJZXDMENHXPD-UHFFFAOYSA-N |