N-butyl-N-(2-{[2-(1H-indol-3-yl)ethyl][(4-methoxyphenyl)methyl]amino}-2-oxoethyl)-3-(4-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-butyl-N-(2-{[2-(1H-indol-3-yl)ethyl][(4-methoxyphenyl)methyl]amino}-2-oxoethyl)-3-(4-nitrophenyl)prop-2-enamide
N-butyl-N-(2-{[2-(1H-indol-3-yl)ethyl][(4-methoxyphenyl)methyl]amino}-2-oxoethyl)-3-(4-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | V014-4766 |
| Compound Name: | N-butyl-N-(2-{[2-(1H-indol-3-yl)ethyl][(4-methoxyphenyl)methyl]amino}-2-oxoethyl)-3-(4-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 568.67 |
| Molecular Formula: | C33 H36 N4 O5 |
| Smiles: | CCCCN(CC(N(CCc1c[nH]c2ccccc12)Cc1ccc(cc1)OC)=O)C(/C=C/c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7321 |
| logD: | 5.7321 |
| logSw: | -5.626 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.359 |
| InChI Key: | ZVHWUXLDZIZHCK-UHFFFAOYSA-N |