4-cyclopentyloxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
Formula:C17H18N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-cyclopentyloxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-cyclopentyloxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide |
| MolecularFormula | C17H18N2O2S |
| Smiles | O=C(c(cc1)ccc1OC1CCCC1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C17H18N2O2S/c20-17(19-18-12-16-6-3-11-22-16)13-7-9-15(10-8-13)21-14-4-1-2-5-14/h3,6-12,14H,1-2,4-5H2,(H,19,20) |
| InChIK | AZOWUUSWEJFWIX-UHFFFAOYSA-N |
| TotalMolweight | 314.408 |
| Molweight | 314.408 |
| MonoisotopicMass | 314.108898 |
| CLogP | 4.2119 |
| CLogS | -5.053 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 246.97 |
| Relative PSA | 0.26874 |
| PolarSurfaceArea | 78.93 |
| Druglikeness | 3.7784 |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| StereoCon |
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