3-(4-chlorophenyl)-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-(4-chlorophenyl)-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-(4-chlorophenyl)-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0137 |
| Compound Name: | 3-(4-chlorophenyl)-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 359.83 |
| Molecular Formula: | C16 H14 Cl N5 O S |
| Smiles: | C1CCN(C1)c1nnc(NC(C(=C/c2ccc(cc2)[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.12 |
| logD: | 3.97 |
| logSw: | -5.03 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 140.91 |
| InChI Key: | CILYTFAYJFYRIE-UHFFFAOYSA-N |