2-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,5-dimethyl-1H-pyrrol-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,5-dimethyl-1H-pyrrol-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
2-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,5-dimethyl-1H-pyrrol-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | M955-0714 |
| Compound Name: | 2-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2,5-dimethyl-1H-pyrrol-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | Cc1cc(c(C)n1CC(NCc1ccc(cc1)SC)=O)c1nnc(C2CC2)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.5374 |
| logD: | 3.5374 |
| logSw: | -3.7539 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.399 |
| InChI Key: | RSQHBBHGCVEQQN-UHFFFAOYSA-N |