N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
Formula:C16H17N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide |
| MolecularFormula | C16H17N3O2S |
| Smiles | O=C(c1ccccc1)N/N=C\c1ccc(N2CCOCC2)s1 |
| InChI | InChI=1S/C16H17N3O2S/c20-16(13-4-2-1-3-5-13)18-17-12-14-6-7-15(22-14)19-8-10-21-11-9-19/h1-7,12H,8-11H2,(H,18,20) |
| InChIK | DMXOKLPSAHXSNV-UHFFFAOYSA-N |
| TotalMolweight | 315.396 |
| Molweight | 315.396 |
| MonoisotopicMass | 315.104147 |
| CLogP | 2.9268 |
| CLogS | -3.984 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 244.77 |
| Relative PSA | 0.28566 |
| PolarSurfaceArea | 82.17 |
| Druglikeness | 6.2904 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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