3-(5-bromo-2-furyl)-2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-(5-bromo-2-furyl)-2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
3-(5-bromo-2-furyl)-2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-2817 |
| Compound Name: | 3-(5-bromo-2-furyl)-2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 422.3 |
| Molecular Formula: | C16 H16 Br N5 O2 S |
| Smiles: | CC1CCN(CC1)c1nnc(NC(C(=C/c2ccc(o2)[Br])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.19 |
| logD: | 4.03 |
| logSw: | -4.79 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 157.44 |
| InChI Key: | RLSJKSDLKHYIOF-UHFFFAOYSA-N |