N-[3-(2-bromo-4-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[3-(2-bromo-4-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
N-[3-(2-bromo-4-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | 2681-3688 |
| Compound Name: | N-[3-(2-bromo-4-methylanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide |
| Molecular Weight: | 486.34 |
| Molecular Formula: | C21 H16 Br N3 O4 S |
| Smiles: | Cc1ccc(c(c1)[Br])NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9758 |
| logD: | 4.803 |
| logSw: | -4.7193 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.956 |
| InChI Key: | WBBDQXKMXYMJDD-UHFFFAOYSA-N |