2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]acrylamide
2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C370-5181 |
| Compound Name: | 2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]acrylamide |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C19 H17 N5 O2 S2 |
| Smiles: | CCSc1nc(NC(C(=C/c2cccn2c2ccc(cc2)OC)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.71 |
| logD: | 4.1 |
| logSw: | -5.34 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 181.61 |
| InChI Key: | PVBFOXBKFHOASZ-UHFFFAOYSA-N |