2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-2825 |
| Compound Name: | 2-cyano-3-(3,4-dihydroxyphenyl)-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C18 H19 N5 O3 S |
| Smiles: | CC1CCN(CC1)c1nnc(NC(C(=C/c2ccc(c(c2)O)O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.05 |
| logD: | 2.89 |
| logSw: | -3.77 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 223.67 |
| InChI Key: | DFPSSZMGKZBTPT-UHFFFAOYSA-N |