(E)-N-benzyl-N-[2-[benzyl-[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]-3-(4-fluorophenyl)prop-2-enamide
Formula:C34H30N2O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-benzyl-N-[2-[benzyl-[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]-3-(4-fluorophenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-benzyl-N-[2-[benzyl-[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]-3-(4-fluorophenyl)prop-2-enamide |
| MolecularFormula | C34H30N2O2F2 |
| Smiles | O=C(/C=C/c(cc1)ccc1F)N(CCN(Cc1ccccc1)C(/C=C/c(cc1)ccc1F)=O)Cc1ccccc1 |
| InChI | InChI=1S/C34H30F2N2O2/c35-31-17-11-27(12-18-31)15-21-33(39)37(25-29-7-3-1-4-8-29)23-24-38(26-30-9-5-2-6-10-30)34(40)22-16-28-13-19-32(36)20-14-28/h1-22H,23-26H2 |
| InChIK | OJHDLYKHBAIIQW-UHFFFAOYSA-N |
| TotalMolweight | 536.62 |
| Molweight | 536.62 |
| MonoisotopicMass | 536.227534 |
| CLogP | 6.2614 |
| CLogS | -6.148 |
| H Acceptors | 4 |
| TotalSurfaceArea | 429.38 |
| Relative PSA | 0.077274 |
| PolarSurfaceArea | 40.62 |
| Druglikeness | 1.0825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 24 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-benzyl-N-[2-[benzyl-[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]-3-(4-fluorophenyl)prop-2-enamide | 2 - (E)-N-benzyl-N-[2-[benzyl-[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]ethyl]-3-(4-fluorophenyl)prop-2-enamide
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