N-{2-[(furan-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enoyl}-beta-alanine
Chemical Structure Depiction of
N-{2-[(furan-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enoyl}-beta-alanine
N-{2-[(furan-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enoyl}-beta-alanine
Compound characteristics
Compound ID: | 5622-0070 |
Compound Name: | N-{2-[(furan-2-carbonyl)amino]-3-(4-nitrophenyl)prop-2-enoyl}-beta-alanine |
Molecular Weight: | 373.32 |
Molecular Formula: | C17 H15 N3 O7 |
Smiles: | C(CNC(/C(=C/c1ccc(cc1)[N+]([O-])=O)NC(c1ccco1)=O)=O)C(O)=O |
Stereo: | ACHIRAL |
logP: | 0.6072 |
logD: | -2.0885 |
logSw: | -1.8039 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 117.033 |
InChI Key: | QHRRIONBVJHSGI-UHFFFAOYSA-N |