N-{2-[(5-bromofuran-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enoyl}valine
Chemical Structure Depiction of
N-{2-[(5-bromofuran-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enoyl}valine
N-{2-[(5-bromofuran-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enoyl}valine
Compound characteristics
| Compound ID: | 3802-0212 |
| Compound Name: | N-{2-[(5-bromofuran-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enoyl}valine |
| Molecular Weight: | 480.27 |
| Molecular Formula: | C19 H18 Br N3 O7 |
| Smiles: | CC(C)C(C(O)=O)NC(/C(=C\c1ccc(cc1)[N+]([O-])=O)NC(c1ccc(o1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8863 |
| logD: | -1.4499 |
| logSw: | -2.5394 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 116.915 |
| InChI Key: | REJAVJVORNPHFP-INIZCTEOSA-N |