N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-3-piperidin-1-ylsulfonylbenzamide
Formula:C24H24N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-3-piperidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-3-piperidin-1-ylsulfonylbenzamide |
| MolecularFormula | C24H24N4O3S |
| Smiles | O=C(c1cccc(S(N2CCCCC2)(=O)=O)c1)N/N=C(\c1ccccc1)/c1ncccc1 |
| InChI | InChI=1S/C24H24N4O3S/c29-24(20-12-9-13-21(18-20)32(30,31)28-16-7-2-8-17-28)27-26-23(19-10-3-1-4-11-19)22-14-5-6-15-25-22/h1,3-6,9-15,18H,2,7-8,16-17H2,(H,27,29) |
| InChIK | CUCYNXWHXWKRCL-UHFFFAOYSA-N |
| TotalMolweight | 448.546 |
| Molweight | 448.546 |
| MonoisotopicMass | 448.156911 |
| CLogP | 3.6582 |
| CLogS | -4.821 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 337.9 |
| Relative PSA | 0.23412 |
| PolarSurfaceArea | 100.11 |
| Druglikeness | -0.41109 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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