2-({[5-(4-methyl-4H-furo[3,2-b]pyrrol-5-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-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}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
2-({[5-(4-methyl-4H-furo[3,2-b]pyrrol-5-yl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Compound characteristics
| Compound ID: | E634-1403 |
| 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}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one |
| Molecular Weight: | 468.54 |
| Molecular Formula: | C25 H20 N6 O2 S |
| Smiles: | Cc1ccccc1n1c(c2cc3c(cco3)n2C)nnc1SCC1=CC(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4812 |
| logD: | 3.4812 |
| logSw: | -3.8956 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.406 |
| InChI Key: | NWGKWCKJHYQRSD-UHFFFAOYSA-N |