N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-(4-nitrophenyl)-N-(prop-2-en-1-yl)prop-2-enamide
Chemical Structure Depiction of
N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-(4-nitrophenyl)-N-(prop-2-en-1-yl)prop-2-enamide
N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-(4-nitrophenyl)-N-(prop-2-en-1-yl)prop-2-enamide
Compound characteristics
| Compound ID: | V001-6418 |
| Compound Name: | N-(2-{[2-(3,4-dimethoxyphenyl)ethyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3-(4-nitrophenyl)-N-(prop-2-en-1-yl)prop-2-enamide |
| Molecular Weight: | 563.67 |
| Molecular Formula: | C30 H33 N3 O6 S |
| Smiles: | Cc1ccsc1CN(CCc1ccc(c(c1)OC)OC)C(CN(CC=C)C(/C=C/c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7661 |
| logD: | 4.7661 |
| logSw: | -4.6948 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.223 |
| InChI Key: | KZJKHIKQIDJNQA-UHFFFAOYSA-N |