N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-methyl-N-(prop-2-en-1-yl)propanamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-methyl-N-(prop-2-en-1-yl)propanamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-methyl-N-(prop-2-en-1-yl)propanamide
Compound characteristics
| Compound ID: | V026-5781 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-methyl-N-(prop-2-en-1-yl)propanamide |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C23 H28 N2 O4 S |
| Smiles: | CC(C)C(N(CC=C)CC(N(Cc1ccc2c(c1)OCO2)Cc1c(C)ccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8421 |
| logD: | 3.8421 |
| logSw: | -3.9286 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.517 |
| InChI Key: | GQVXXYOAJZUIHS-UHFFFAOYSA-N |