2-bromo-N-[3-(2-methoxy-4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Chemical Structure Depiction of
2-bromo-N-[3-(2-methoxy-4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
2-bromo-N-[3-(2-methoxy-4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 2447-2776 |
| Compound Name: | 2-bromo-N-[3-(2-methoxy-4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide |
| Molecular Weight: | 541.31 |
| Molecular Formula: | C23 H17 Br N4 O7 |
| Smiles: | COc1cc(ccc1NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1ccccc1[Br])=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4066 |
| logD: | 2.9133 |
| logSw: | -4.4995 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.95 |
| InChI Key: | BJCUSFMSPMRPSI-UHFFFAOYSA-N |