N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[(3-chlorophenyl)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~-[(3-chlorophenyl)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~-[(3-chlorophenyl)carbamoyl]-N-[(3-methylthiophen-2-yl)methyl]-N~2~-(prop-2-en-1-yl)glycinamide
Compound characteristics
| Compound ID: | V003-9721 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[(3-chlorophenyl)carbamoyl]-N-[(3-methylthiophen-2-yl)methyl]-N~2~-(prop-2-en-1-yl)glycinamide |
| Molecular Weight: | 512.03 |
| Molecular Formula: | C26 H26 Cl N3 O4 S |
| Smiles: | Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(CN(CC=C)C(Nc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3615 |
| logD: | 5.3615 |
| logSw: | -5.8049 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.066 |
| InChI Key: | VSAJUIGHSSSBBS-UHFFFAOYSA-N |