N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-cyclohexyl-2-methylpropanamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-cyclohexyl-2-methylpropanamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-cyclohexyl-2-methylpropanamide
Compound characteristics
| Compound ID: | V027-1071 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-cyclohexyl-2-methylpropanamide |
| Molecular Weight: | 470.63 |
| Molecular Formula: | C26 H34 N2 O4 S |
| Smiles: | CC(C)C(N(CC(N(Cc1ccc2c(c1)OCO2)Cc1c(C)ccs1)=O)C1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1299 |
| logD: | 5.1299 |
| logSw: | -4.9822 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.512 |
| InChI Key: | YRXXPTRYGFRUAW-UHFFFAOYSA-N |