N-(2-{benzyl[(thiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-3-(4-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-(2-{benzyl[(thiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-3-(4-nitrophenyl)prop-2-enamide
N-(2-{benzyl[(thiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-3-(4-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | V013-0606 |
| Compound Name: | N-(2-{benzyl[(thiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(3-methoxypropyl)-3-(4-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 507.61 |
| Molecular Formula: | C27 H29 N3 O5 S |
| Smiles: | COCCCN(CC(N(Cc1ccccc1)Cc1cccs1)=O)C(/C=C/c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2276 |
| logD: | 4.2276 |
| logSw: | -4.1547 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.326 |
| InChI Key: | WPOXUEVHRMLSLR-UHFFFAOYSA-N |