2-{[5-(4-methyl-4H-furo[3,2-b]pyrrol-5-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)butan-1-one
Chemical Structure Depiction of
2-{[5-(4-methyl-4H-furo[3,2-b]pyrrol-5-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)butan-1-one
2-{[5-(4-methyl-4H-furo[3,2-b]pyrrol-5-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)butan-1-one
Compound characteristics
| Compound ID: | E634-1460 |
| Compound Name: | 2-{[5-(4-methyl-4H-furo[3,2-b]pyrrol-5-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)butan-1-one |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C24 H27 N5 O2 S |
| Smiles: | CCC(C(N1CCCC1)=O)Sc1nnc(c2cc3c(cco3)n2C)n1c1ccccc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4658 |
| logD: | 4.4658 |
| logSw: | -4.2826 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.705 |
| InChI Key: | GALKKNKMHUSRBE-NRFANRHFSA-N |