3-hydroxy-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide
Formula:C20H19N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C20H19N3O3S |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c1ccc(N2CCOCC2)s1)=O |
| InChI | InChI=1S/C20H19N3O3S/c24-18-12-15-4-2-1-3-14(15)11-17(18)20(25)22-21-13-16-5-6-19(27-16)23-7-9-26-10-8-23/h1-6,11-13,24H,7-10H2,(H,22,25) |
| InChIK | SACINYQEVJZPBB-UHFFFAOYSA-N |
| TotalMolweight | 381.455 |
| Molweight | 381.455 |
| MonoisotopicMass | 381.114712 |
| CLogP | 3.7755 |
| CLogS | -5.294 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 285.72 |
| Relative PSA | 0.29056 |
| PolarSurfaceArea | 102.4 |
| Druglikeness | 6.2856 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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