2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
Compound characteristics
| Compound ID: | C146-1565 |
| Compound Name: | 2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide |
| Molecular Weight: | 439.56 |
| Molecular Formula: | C21 H21 N5 O2 S2 |
| Smiles: | CCSc1nc(NC(C(=C/c2cc(C)n(c3ccc(cc3)OC)c2C)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.64 |
| logD: | 4.4 |
| logSw: | -5.42 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 179.49 |
| InChI Key: | IVJDEGCZFVAEBP-UHFFFAOYSA-N |