4-(azepan-1-ylsulfonyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide
Formula:C19H22N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(azepan-1-ylsulfonyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide is a drug-like molecule.
| MolName | 4-(azepan-1-ylsulfonyl)-N-[(Z)-pyridin-3-ylmethylideneamino]benzamide |
| MolecularFormula | C19H22N4O3S |
| Smiles | O=C(c(cc1)ccc1S(N1CCCCCC1)(=O)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C19H22N4O3S/c24-19(22-21-15-16-6-5-11-20-14-16)17-7-9-18(10-8-17)27(25,26)23-12-3-1-2-4-13-23/h5-11,14-15H,1-4,12-13H2,(H,22,24) |
| InChIK | QGHSSTDQNUZDLV-UHFFFAOYSA-N |
| TotalMolweight | 386.475 |
| Molweight | 386.475 |
| MonoisotopicMass | 386.141261 |
| CLogP | 2.7495 |
| CLogS | -3.291 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 293.69 |
| Relative PSA | 0.26937 |
| PolarSurfaceArea | 100.11 |
| Druglikeness | 2.6403 |
| 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 | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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