3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0679 |
| Compound Name: | 3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 475.53 |
| Molecular Formula: | C24 H21 N5 O4 S |
| Smiles: | C1CCN(C1)c1nnc(NC(C(=C/c2ccc(cc2)OCc2ccc3c(c2)OCO3)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.86 |
| logD: | 4.71 |
| logSw: | -5.9 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 184.59 |
| InChI Key: | DTQDUJRNUDWBPC-UHFFFAOYSA-N |