N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-methoxy-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)-4-methoxy-N-(prop-2-en-1-yl)benzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-methoxy-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | V012-3404 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-methoxy-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 492.59 |
| Molecular Formula: | C27 H28 N2 O5 S |
| Smiles: | Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(CN(CC=C)C(c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1924 |
| logD: | 4.1924 |
| logSw: | -4.3924 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.789 |
| InChI Key: | CGFPRHWBSBXKAD-UHFFFAOYSA-N |