3-{1-[3-(2-chlorophenoxy)propyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Chemical Structure Depiction of
3-{1-[3-(2-chlorophenoxy)propyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
3-{1-[3-(2-chlorophenoxy)propyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide
Compound characteristics
| Compound ID: | C482-0982 |
| Compound Name: | 3-{1-[3-(2-chlorophenoxy)propyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-methyl-3-isoxazolyl)acrylamide |
| Molecular Weight: | 410.86 |
| Molecular Formula: | C21 H19 Cl N4 O3 |
| Smiles: | Cc1cc(NC(C(=C/c2cccn2CCCOc2ccccc2[Cl])\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.68 |
| logD: | 3.84 |
| logSw: | -4.92 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 148.97 |
| InChI Key: | FPAZUDFZNYINML-UHFFFAOYSA-N |