3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]propanamide
Formula:C28H30N4O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]propanamide |
| MolecularFormula | C28H30N4O2F2 |
| Smiles | O=C(CCN(CC1)CCN1C(c1ccccc1)c1ccccc1)N/N=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C28H30F2N4O2/c29-28(30)36-25-14-8-7-13-24(25)21-31-32-26(35)15-16-33-17-19-34(20-18-33)27(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-14,21,27-28H,15-20H2,(H,32,35) |
| InChIK | PREDHTRADGTWNB-UHFFFAOYSA-N |
| TotalMolweight | 492.568 |
| Molweight | 492.568 |
| MonoisotopicMass | 492.233682 |
| CLogP | 4.8874 |
| CLogS | -4.718 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 384.11 |
| Relative PSA | 0.13827 |
| PolarSurfaceArea | 57.17 |
| Druglikeness | 7.3664 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 11 |
| Symmetricatoms | 11 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]propanamide | 2 - 3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]propanamide
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