| MolName | 3-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]-N-(3-hydroxypropyl)benzamide |
| MolecularFormula | C26H25N3O4 |
| Smiles | OCCCNC(c1cccc(NC(/C(/NC(c2ccccc2)=O)=C\c2ccccc2)=O)c1)=O |
| InChI | InChI=1S/C26H25N3O4/c30-16-8-15-27-24(31)21-13-7-14-22(18-21)28-26(33)23(17-19-9-3-1-4-10-19)29-25(32)20-11-5-2-6-12-20/h1-7,9-14,17-18,30H,8,15-16H2,(H,27,31)(H,28,33)(H,29,32) |
| InChIK | JKUSUWXNDPCFFL-UHFFFAOYSA-N |
| TotalMolweight | 443.502 |
| Molweight | 443.502 |
| MonoisotopicMass | 443.184507 |
| CLogP | 3.7966 |
| CLogS | -4.941 |
| H Acceptors | 7 |
| H Donors | 4 |
| TotalSurfaceArea | 352.75 |
| Relative PSA | 0.2455 |
| PolarSurfaceArea | 107.53 |
| Druglikeness | 1.6304 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 3 |
| StereoCon |
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1 - 3-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]-N-(3-hydroxypropyl)benzamide | 2 - 3-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]-N-(3-hydroxypropyl)benzamide