2-cyano-3-[1-(3-phenoxypropyl)-1H-pyrrol-2-yl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(3-phenoxypropyl)-1H-pyrrol-2-yl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(3-phenoxypropyl)-1H-pyrrol-2-yl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0771 |
| Compound Name: | 2-cyano-3-[1-(3-phenoxypropyl)-1H-pyrrol-2-yl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 448.55 |
| Molecular Formula: | C23 H24 N6 O2 S |
| Smiles: | C1CCN(C1)c1nnc(NC(C(=C/c2cccn2CCCOc2ccccc2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.76 |
| logD: | 4.72 |
| logSw: | -5.52 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 147.24 |
| InChI Key: | JFPHQCUAIWVORA-UHFFFAOYSA-N |