N-[3-(4-methylpiperazin-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[3-(4-methylpiperazin-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
N-[3-(4-methylpiperazin-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | 8011-0372 |
| Compound Name: | N-[3-(4-methylpiperazin-1-yl)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C19 H20 N4 O4 S |
| Smiles: | CN1CCN(CC1)C(/C(=C\c1cccc(c1)[N+]([O-])=O)NC(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1653 |
| logD: | 1.3061 |
| logSw: | -2.9357 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.688 |
| InChI Key: | DRTOPHXEQDSUSO-UHFFFAOYSA-N |