N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-methyl-N-(2-methylbutyl)benzamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-methyl-N-(2-methylbutyl)benzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-methyl-N-(2-methylbutyl)benzamide
Compound characteristics
| Compound ID: | V012-2610 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-methyl-N-(2-methylbutyl)benzamide |
| Molecular Weight: | 506.66 |
| Molecular Formula: | C29 H34 N2 O4 S |
| Smiles: | CCC(C)CN(CC(N(Cc1ccc2c(c1)OCO2)Cc1c(C)ccs1)=O)C(c1ccccc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8517 |
| logD: | 5.8517 |
| logSw: | -5.4925 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.267 |
| InChI Key: | JAGLOMLVUSAWNP-FQEVSTJZSA-N |