1-(2-ethylpiperidin-1-yl)-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}ethan-1-one
Chemical Structure Depiction of
1-(2-ethylpiperidin-1-yl)-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}ethan-1-one
1-(2-ethylpiperidin-1-yl)-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}ethan-1-one
Compound characteristics
| Compound ID: | C794-1121 |
| Compound Name: | 1-(2-ethylpiperidin-1-yl)-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}ethan-1-one |
| Molecular Weight: | 507.72 |
| Molecular Formula: | C27 H33 N5 O S2 |
| Smiles: | CCC1CCCCN1C(CSc1nnc(c2cc3c(ccs3)n2C)n1c1c(C)cc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4272 |
| logD: | 6.4272 |
| logSw: | -5.5225 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.703 |
| InChI Key: | BQBDPNZJBXNJTE-FQEVSTJZSA-N |