N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-fluoro-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-fluoro-N-(prop-2-en-1-yl)benzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-fluoro-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | V012-3416 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-fluoro-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 480.56 |
| Molecular Formula: | C26 H25 F N2 O4 S |
| Smiles: | Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(CN(CC=C)C(c1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3456 |
| logD: | 4.3456 |
| logSw: | -4.3869 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.245 |
| InChI Key: | DGWKILBTFUAVND-UHFFFAOYSA-N |