N-[3-(3-chloro-4-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[3-(3-chloro-4-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
N-[3-(3-chloro-4-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | 2681-3653 |
| Compound Name: | N-[3-(3-chloro-4-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide |
| Molecular Weight: | 441.89 |
| Molecular Formula: | C21 H16 Cl N3 O4 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3864 |
| logD: | 5.3284 |
| logSw: | -6.074 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.654 |
| InChI Key: | YFRQUOOEZIXVDC-UHFFFAOYSA-N |