N-{3-[(3-methoxypropyl)amino]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl}-4-methylbenzamide
Chemical Structure Depiction of
N-{3-[(3-methoxypropyl)amino]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl}-4-methylbenzamide
N-{3-[(3-methoxypropyl)amino]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl}-4-methylbenzamide
Compound characteristics
| Compound ID: | 1309-2090 |
| Compound Name: | N-{3-[(3-methoxypropyl)amino]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl}-4-methylbenzamide |
| Molecular Weight: | 397.43 |
| Molecular Formula: | C21 H23 N3 O5 |
| Smiles: | Cc1ccc(cc1)C(NC(=C\c1cccc(c1)[N+]([O-])=O)\C(NCCCOC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8721 |
| logD: | 1.5746 |
| logSw: | -3.3924 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.413 |
| InChI Key: | ATZSUXKKMLZCIN-UHFFFAOYSA-N |