N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | V015-9891 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-3-phenylpropanamide |
| Molecular Weight: | 508.64 |
| Molecular Formula: | C28 H32 N2 O5 S |
| Smiles: | Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(CN(CCOC)C(CCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2551 |
| logD: | 4.2551 |
| logSw: | -4.2954 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.06 |
| InChI Key: | JJTTXXSHRBOLNA-UHFFFAOYSA-N |