3-({[4-(5-chloro-2-methoxyphenyl)-5-(4-methyl-4H-furo[3,2-b]pyrrol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[4-(5-chloro-2-methoxyphenyl)-5-(4-methyl-4H-furo[3,2-b]pyrrol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[4-(5-chloro-2-methoxyphenyl)-5-(4-methyl-4H-furo[3,2-b]pyrrol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | E634-1495 |
| Compound Name: | 3-({[4-(5-chloro-2-methoxyphenyl)-5-(4-methyl-4H-furo[3,2-b]pyrrol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 475.96 |
| Molecular Formula: | C24 H18 Cl N5 O2 S |
| Smiles: | Cn1c(cc2c1cco2)c1nnc(n1c1cc(ccc1OC)[Cl])SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5612 |
| logD: | 4.5612 |
| logSw: | -4.7552 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.106 |
| InChI Key: | LBHPOQCMRYWSTJ-UHFFFAOYSA-N |