2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
Compound ID: | C726-2842 |
Compound Name: | 2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide |
Molecular Weight: | 476.6 |
Molecular Formula: | C25 H28 N6 O2 S |
Smiles: | CC1CCN(CC1)c1nnc(NC(C(=C/c2cc(C)n(c3ccc(cc3)OC)c2C)\C#N)=O)s1 |
Stereo: | ACHIRAL |
logP: | 4.88 |
logD: | 4.85 |
logSw: | -6.05 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 153.92 |
InChI Key: | VTDYVSJRZJWTDZ-UHFFFAOYSA-N |