N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V012-3040 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 510.57 |
| Molecular Formula: | C26 H26 N2 O7 S |
| Smiles: | COCCN(CC(N(Cc1ccc2c(c1)OCO2)Cc1cccs1)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9626 |
| logD: | 2.9626 |
| logSw: | -3.1837 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.703 |
| InChI Key: | AQLCXHMPNMBKPI-UHFFFAOYSA-N |