N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-3-(4-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-3-(4-nitrophenyl)prop-2-enamide
N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-3-(4-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | V003-1045 |
| Compound Name: | N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(2-methoxyethyl)-3-(4-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 525.6 |
| Molecular Formula: | C27 H28 F N3 O5 S |
| Smiles: | Cc1ccsc1CN(Cc1ccc(cc1)F)C(CN(CCOC)C(/C=C/c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.371 |
| logD: | 4.371 |
| logSw: | -4.3133 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.326 |
| InChI Key: | PKRIYHIJPUORRP-UHFFFAOYSA-N |