2-cyano-3-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-1306 |
| Compound Name: | 2-cyano-3-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C20 H19 N5 O S2 |
| Smiles: | CCSc1nc(NC(C(=C/c2cc(C)n(c3ccccc3)c2C)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.54 |
| logD: | 4.29 |
| logSw: | -4.95 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 162.36 |
| InChI Key: | MPEOGUSPHCIUDH-UHFFFAOYSA-N |