N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[(2-methylphenyl)carbamoyl]-N-[(3-methylthiophen-2-yl)methyl]-N~2~-(prop-2-en-1-yl)glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[(2-methylphenyl)carbamoyl]-N-[(3-methylthiophen-2-yl)methyl]-N~2~-(prop-2-en-1-yl)glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[(2-methylphenyl)carbamoyl]-N-[(3-methylthiophen-2-yl)methyl]-N~2~-(prop-2-en-1-yl)glycinamide
Compound characteristics
| Compound ID: | V003-1021 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[(2-methylphenyl)carbamoyl]-N-[(3-methylthiophen-2-yl)methyl]-N~2~-(prop-2-en-1-yl)glycinamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C27 H29 N3 O4 S |
| Smiles: | Cc1ccccc1NC(N(CC=C)CC(N(Cc1ccc2c(c1)OCO2)Cc1c(C)ccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7989 |
| logD: | 4.7989 |
| logSw: | -4.5293 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.368 |
| InChI Key: | ASMMLJZLQUVADX-UHFFFAOYSA-N |