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}-N,N-dipropylacetamide
Chemical Structure Depiction of
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}-N,N-dipropylacetamide
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}-N,N-dipropylacetamide
Compound characteristics
| Compound ID: | E634-0259 |
| Compound Name: | 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}-N,N-dipropylacetamide |
| Molecular Weight: | 495.71 |
| Molecular Formula: | C26 H33 N5 O S2 |
| Smiles: | CCCN(CCC)C(CSc1nnc(c2cc3c(ccs3)n2C)n1c1c(C)cc(C)cc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4746 |
| logD: | 6.4746 |
| logSw: | -5.5536 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.848 |
| InChI Key: | IMEGWASXRRDKOJ-UHFFFAOYSA-N |