N-benzyl-N~2~-[(3-cyanophenyl)carbamoyl]-N-[(5-methylthiophen-2-yl)methyl]-N~2~-(prop-2-en-1-yl)glycinamide
Chemical Structure Depiction of
N-benzyl-N~2~-[(3-cyanophenyl)carbamoyl]-N-[(5-methylthiophen-2-yl)methyl]-N~2~-(prop-2-en-1-yl)glycinamide
N-benzyl-N~2~-[(3-cyanophenyl)carbamoyl]-N-[(5-methylthiophen-2-yl)methyl]-N~2~-(prop-2-en-1-yl)glycinamide
Compound characteristics
| Compound ID: | V012-4961 |
| Compound Name: | N-benzyl-N~2~-[(3-cyanophenyl)carbamoyl]-N-[(5-methylthiophen-2-yl)methyl]-N~2~-(prop-2-en-1-yl)glycinamide |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C26 H26 N4 O2 S |
| Smiles: | Cc1ccc(CN(Cc2ccccc2)C(CN(CC=C)C(Nc2cccc(C#N)c2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.7052 |
| logD: | 4.7052 |
| logSw: | -4.4542 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.007 |
| InChI Key: | TWUGWFDQVOVWAU-UHFFFAOYSA-N |