| MolName | benzyl 3-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]propanoate |
| MolecularFormula | C26H24N2O4 |
| Smiles | O=C(CCNC(/C(/NC(c1ccccc1)=O)=C\c1ccccc1)=O)OCc1ccccc1 |
| InChI | InChI=1S/C26H24N2O4/c29-24(32-19-21-12-6-2-7-13-21)16-17-27-26(31)23(18-20-10-4-1-5-11-20)28-25(30)22-14-8-3-9-15-22/h1-15,18H,16-17,19H2,(H,27,31)(H,28,30) |
| InChIK | QVPDWKWMGQDIBK-UHFFFAOYSA-N |
| TotalMolweight | 428.487 |
| Molweight | 428.487 |
| MonoisotopicMass | 428.173608 |
| CLogP | 4.1455 |
| CLogS | -4.862 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 344.94 |
| Relative PSA | 0.20885 |
| PolarSurfaceArea | 84.5 |
| Druglikeness | 2.2445 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - benzyl 3-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]propanoate | 2 - benzyl 3-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]propanoate