N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(propan-2-yl)propanamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(propan-2-yl)propanamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | V029-7034 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(propan-2-yl)propanamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C22 H28 N2 O4 S |
| Smiles: | CCC(N(CC(N(Cc1ccc2c(c1)OCO2)Cc1c(C)ccs1)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7211 |
| logD: | 3.7211 |
| logSw: | -3.8496 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.755 |
| InChI Key: | SORCJTGGAORFAW-UHFFFAOYSA-N |