3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-cyano-N~1~-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-cyano-N~1~-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-cyano-N~1~-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 4272-0047 |
| Compound Name: | 3-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-2-cyano-N~1~-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 460.94 |
| Molecular Formula: | C23 H17 Cl N6 O S |
| Smiles: | Cc1ccccc1c1nnc(NC(C(=C/c2c(C)nn(c3ccccc3)c2[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.9 |
| logD: | 4.86 |
| logSw: | -5.73 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 131.61 |
| InChI Key: | GEPJNCKALSOFKY-VBKFSLOCSA-N |