N-{1-(4-chlorophenyl)-2-[(3-ethoxypropyl)amino]-2-oxoethyl}-N-[(thiophen-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{1-(4-chlorophenyl)-2-[(3-ethoxypropyl)amino]-2-oxoethyl}-N-[(thiophen-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
N-{1-(4-chlorophenyl)-2-[(3-ethoxypropyl)amino]-2-oxoethyl}-N-[(thiophen-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | C094-2101 |
| Compound Name: | N-{1-(4-chlorophenyl)-2-[(3-ethoxypropyl)amino]-2-oxoethyl}-N-[(thiophen-2-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 515.03 |
| Molecular Formula: | C26 H27 Cl N2 O5 S |
| Smiles: | CCOCCCNC(C(c1ccc(cc1)[Cl])N(Cc1cccs1)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6792 |
| logD: | 4.6792 |
| logSw: | -5.0858 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.8 |
| InChI Key: | HSIFSXVFSOOSDC-XMMPIXPASA-N |