3-[4-(benzyloxy)phenyl]-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)phenyl]-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[4-(benzyloxy)phenyl]-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0154 |
| Compound Name: | 3-[4-(benzyloxy)phenyl]-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 431.52 |
| Molecular Formula: | C23 H21 N5 O2 S |
| Smiles: | C1CCN(C1)c1nnc(NC(C(=C/c2ccc(cc2)OCc2ccccc2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.94 |
| logD: | 4.78 |
| logSw: | -5.96 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 145.79 |
| InChI Key: | NXTDPUFNZXRERZ-UHFFFAOYSA-N |