N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-methyl-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-methyl-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-methyl-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | V004-7206 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-methyl-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 476.59 |
| Molecular Formula: | C27 H28 N2 O4 S |
| Smiles: | Cc1ccc(cc1)C(N(CC=C)CC(N(Cc1ccc2c(c1)OCO2)Cc1c(C)ccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6334 |
| logD: | 4.6334 |
| logSw: | -4.4926 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.245 |
| InChI Key: | FNPAEABAAQQPBA-UHFFFAOYSA-N |