3-piperidin-1-ylsulfonyl-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
Formula:C18H20N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-piperidin-1-ylsulfonyl-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 3-piperidin-1-ylsulfonyl-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide |
| MolecularFormula | C18H20N4O3S |
| Smiles | O=C(c1cccc(S(N2CCCCC2)(=O)=O)c1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C18H20N4O3S/c23-18(21-20-14-15-6-5-9-19-13-15)16-7-4-8-17(12-16)26(24,25)22-10-2-1-3-11-22/h4-9,12-14H,1-3,10-11H2,(H,21,23) |
| InChIK | UPDREFBJACRRBV-UHFFFAOYSA-N |
| TotalMolweight | 372.448 |
| Molweight | 372.448 |
| MonoisotopicMass | 372.125611 |
| CLogP | 2.4075 |
| CLogS | -3.021 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 279.93 |
| Relative PSA | 0.28261 |
| PolarSurfaceArea | 100.11 |
| Druglikeness | -0.31197 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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