(2E)-N-{1-[4-(2-ethylhexanoyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl}-3-(4-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
(2E)-N-{1-[4-(2-ethylhexanoyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl}-3-(4-nitrophenyl)prop-2-enamide
(2E)-N-{1-[4-(2-ethylhexanoyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl}-3-(4-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | V009-5546 |
| Compound Name: | (2E)-N-{1-[4-(2-ethylhexanoyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl}-3-(4-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 514.67 |
| Molecular Formula: | C28 H42 N4 O5 |
| Smiles: | CCCCC(CC)C(N1CCN(CC1C)C(C(C(C)CC)NC(/C=C/c1ccc(cc1)[N+]([O-])=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0718 |
| logD: | 5.0718 |
| logSw: | -4.6498 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.038 |
| InChI Key: | BWDSSFOIJVTZFK-UHFFFAOYSA-N |