2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]acrylamide
2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C482-0925 |
| Compound Name: | 2-cyano-N~1~-(5-methyl-3-isoxazolyl)-3-[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]acrylamide |
| Molecular Weight: | 362.39 |
| Molecular Formula: | C20 H18 N4 O3 |
| Smiles: | Cc1cc(NC(C(=C/c2cccn2CCOc2ccccc2)\C#N)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.98 |
| logD: | 3.14 |
| logSw: | -4.52 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 152.93 |
| InChI Key: | AVJLHNSHOBLHJF-UHFFFAOYSA-N |