6-{2-[(furan-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enamido}hexanoic acid
Chemical Structure Depiction of
6-{2-[(furan-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enamido}hexanoic acid
6-{2-[(furan-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enamido}hexanoic acid
Compound characteristics
| Compound ID: | 5622-0023 |
| Compound Name: | 6-{2-[(furan-2-carbonyl)amino]-3-(3-nitrophenyl)prop-2-enamido}hexanoic acid |
| Molecular Weight: | 415.4 |
| Molecular Formula: | C20 H21 N3 O7 |
| Smiles: | C(CCC(O)=O)CCNC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5751 |
| logD: | -1.2531 |
| logSw: | -1.8534 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.033 |
| InChI Key: | GCVUFYXILCKPQJ-UHFFFAOYSA-N |