N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-3-methylbutanamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-3-methylbutanamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-3-methylbutanamide
Compound characteristics
| Compound ID: | V002-5785 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-3-methylbutanamide |
| Molecular Weight: | 446.56 |
| Molecular Formula: | C23 H30 N2 O5 S |
| Smiles: | CC(C)CC(N(CCOC)CC(N(Cc1ccc2c(c1)OCO2)Cc1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1736 |
| logD: | 3.1736 |
| logSw: | -3.2318 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.332 |
| InChI Key: | LKRRZRZPIAZNKS-UHFFFAOYSA-N |