N-cyclohexyl-N-methyl-2-{[5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-cyclohexyl-N-methyl-2-{[5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-cyclohexyl-N-methyl-2-{[5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C794-1122 |
| Compound Name: | N-cyclohexyl-N-methyl-2-{[5-(4-methyl-4H-thieno[3,2-b]pyrrol-5-yl)-4-(2,4,6-trimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 507.72 |
| Molecular Formula: | C27 H33 N5 O S2 |
| Smiles: | Cc1cc(C)c(c(C)c1)n1c(c2cc3c(ccs3)n2C)nnc1SCC(N(C)C1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5375 |
| logD: | 6.5375 |
| logSw: | -5.4464 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.611 |
| InChI Key: | STXNFNAGKLQLFD-UHFFFAOYSA-N |