N-[2-[[(Z)-(3-phenylmethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
Formula:C26H21N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[[(Z)-(3-phenylmethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide is not a drug-like molecule.
| MolName | N-[2-[[(Z)-(3-phenylmethoxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide |
| MolecularFormula | C26H21N3O3S |
| Smiles | O=C(c1cccs1)Nc(cccc1)c1C(N/N=C\c1cc(OCc2ccccc2)ccc1)=O |
| InChI | InChI=1S/C26H21N3O3S/c30-25(22-12-4-5-13-23(22)28-26(31)24-14-7-15-33-24)29-27-17-20-10-6-11-21(16-20)32-18-19-8-2-1-3-9-19/h1-17H,18H2,(H,28,31)(H,29,30) |
| InChIK | FGPHJPUJHFWKSA-UHFFFAOYSA-N |
| TotalMolweight | 455.537 |
| Molweight | 455.537 |
| MonoisotopicMass | 455.130362 |
| CLogP | 5.5638 |
| CLogS | -6.584 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 355.42 |
| Relative PSA | 0.25567 |
| PolarSurfaceArea | 108.03 |
| Druglikeness | 6.3388 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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