2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
Compound characteristics
| Compound ID: | C355-1389 |
| Compound Name: | 2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide |
| Molecular Weight: | 499.61 |
| Molecular Formula: | C23 H25 N5 O4 S2 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2cc(C)n(c3cc(C)ccc3OC)c2C)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.93 |
| logD: | 2.26 |
| logSw: | -4.89 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 190.5 |
| InChI Key: | UMZSEAOLJJAGAI-UHFFFAOYSA-N |