N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-[(3-ethoxypropyl)amino]-1-(4-methylphenyl)-2-oxoethyl}pyrazine-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-[(3-ethoxypropyl)amino]-1-(4-methylphenyl)-2-oxoethyl}pyrazine-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-[(3-ethoxypropyl)amino]-1-(4-methylphenyl)-2-oxoethyl}pyrazine-2-carboxamide
Compound characteristics
| Compound ID: | C094-2168 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-[(3-ethoxypropyl)amino]-1-(4-methylphenyl)-2-oxoethyl}pyrazine-2-carboxamide |
| Molecular Weight: | 490.56 |
| Molecular Formula: | C27 H30 N4 O5 |
| Smiles: | CCOCCCNC(C(c1ccc(C)cc1)N(Cc1ccc2c(c1)OCO2)C(c1cnccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.806 |
| logD: | 2.806 |
| logSw: | -2.8483 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.347 |
| InChI Key: | PLTSZHSLRYESRV-RUZDIDTESA-N |