N-butyl-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-3-(4-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-butyl-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-3-(4-nitrophenyl)prop-2-enamide
N-butyl-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-3-(4-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | V003-1023 |
| Compound Name: | N-butyl-N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-3-(4-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 565.69 |
| Molecular Formula: | C30 H35 N3 O6 S |
| Smiles: | CCCCN(CC(N(CCc1ccc(c(c1)OC)OC)Cc1cccs1)=O)C(/C=C/c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.121 |
| logD: | 5.121 |
| logSw: | -5.0491 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.223 |
| InChI Key: | RGFOMKASQZAZEH-UHFFFAOYSA-N |