2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}acetamide
2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | 8015-7838 |
| Compound Name: | 2-{[5-(3-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}acetamide |
| Molecular Weight: | 513.62 |
| Molecular Formula: | C28 H27 N5 O3 S |
| Smiles: | COc1cccc(c1)c1nnc(n1c1ccccc1)SCC(NCc1ccc(cc1)N1CCCC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1945 |
| logD: | 4.1945 |
| logSw: | -4.2685 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.544 |
| InChI Key: | MEQKTLFFPQFSGX-UHFFFAOYSA-N |