N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,4-dichloro-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)-3,4-dichloro-N-(2-methylbutyl)benzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,4-dichloro-N-(2-methylbutyl)benzamide
Compound characteristics
| Compound ID: | V003-9685 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,4-dichloro-N-(2-methylbutyl)benzamide |
| Molecular Weight: | 561.53 |
| Molecular Formula: | C28 H30 Cl2 N2 O4 S |
| Smiles: | CCC(C)CN(CC(N(Cc1ccc2c(c1)OCO2)Cc1c(C)ccs1)=O)C(c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6611 |
| logD: | 6.6611 |
| logSw: | -6.424 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.267 |
| InChI Key: | DFAWGULLKYTTIO-SFHVURJKSA-N |