N-[3-(3,5-dimethylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[3-(3,5-dimethylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
N-[3-(3,5-dimethylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | 2681-3679 |
| Compound Name: | N-[3-(3,5-dimethylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide |
| Molecular Weight: | 421.47 |
| Molecular Formula: | C22 H19 N3 O4 S |
| Smiles: | Cc1cc(C)cc(c1)NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6891 |
| logD: | 4.662 |
| logSw: | -4.5435 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.654 |
| InChI Key: | BKOCPZQPTOFBHM-UHFFFAOYSA-N |