N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-[(3-ethoxypropyl)amino]-1-(4-methoxyphenyl)-2-oxoethyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-[(3-ethoxypropyl)amino]-1-(4-methoxyphenyl)-2-oxoethyl}-2H-1,3-benzodioxole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-[(3-ethoxypropyl)amino]-1-(4-methoxyphenyl)-2-oxoethyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | C094-2203 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{2-[(3-ethoxypropyl)amino]-1-(4-methoxyphenyl)-2-oxoethyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 548.59 |
| Molecular Formula: | C30 H32 N2 O8 |
| Smiles: | CCOCCCNC(C(c1ccc(cc1)OC)N(Cc1ccc2c(c1)OCO2)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.968 |
| logD: | 3.968 |
| logSw: | -4.0564 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.441 |
| InChI Key: | QXEPFRUWIVBILM-MUUNZHRXSA-N |