4-(morpholin-4-ylmethyl)-N-[(Z)-(4-phenoxyphenyl)methylideneamino]benzamide
Formula:C25H25N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(morpholin-4-ylmethyl)-N-[(Z)-(4-phenoxyphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(morpholin-4-ylmethyl)-N-[(Z)-(4-phenoxyphenyl)methylideneamino]benzamide |
| MolecularFormula | C25H25N3O3 |
| Smiles | O=C(c1ccc(CN2CCOCC2)cc1)N/N=C\c(cc1)ccc1Oc1ccccc1 |
| InChI | InChI=1S/C25H25N3O3/c29-25(22-10-6-21(7-11-22)19-28-14-16-30-17-15-28)27-26-18-20-8-12-24(13-9-20)31-23-4-2-1-3-5-23/h1-13,18H,14-17,19H2,(H,27,29) |
| InChIK | POFGUBIUKYGPQP-UHFFFAOYSA-N |
| TotalMolweight | 415.492 |
| Molweight | 415.492 |
| MonoisotopicMass | 415.189592 |
| CLogP | 4.1891 |
| CLogS | -5.599 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 332.35 |
| Relative PSA | 0.17921 |
| PolarSurfaceArea | 63.16 |
| Druglikeness | 5.32 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70968 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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