N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-fluoro-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)-4-fluoro-N-(2-methylbutyl)benzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-fluoro-N-(2-methylbutyl)benzamide
Compound characteristics
| Compound ID: | V012-2574 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-fluoro-N-(2-methylbutyl)benzamide |
| Molecular Weight: | 510.63 |
| Molecular Formula: | C28 H31 F N2 O4 S |
| Smiles: | CCC(C)CN(CC(N(Cc1ccc2c(c1)OCO2)Cc1c(C)ccs1)=O)C(c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4902 |
| logD: | 5.4902 |
| logSw: | -5.4782 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.267 |
| InChI Key: | SJEJLZOTAGRZCT-IBGZPJMESA-N |