2-(morpholin-4-ylsulfonylamino)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C12H17N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(morpholin-4-ylsulfonylamino)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(morpholin-4-ylsulfonylamino)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C12H17N5O4S |
| Smiles | O=C(CNS(N1CCOCC1)(=O)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C12H17N5O4S/c18-12(16-14-9-11-2-1-3-13-8-11)10-15-22(19,20)17-4-6-21-7-5-17/h1-3,8-9,15H,4-7,10H2,(H,16,18) |
| InChIK | CXFJXHRLYYXOOM-UHFFFAOYSA-N |
| TotalMolweight | 327.364 |
| Molweight | 327.364 |
| MonoisotopicMass | 327.100125 |
| CLogP | -0.5975 |
| CLogS | -1.095 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 241.63 |
| Relative PSA | 0.41621 |
| PolarSurfaceArea | 121.37 |
| Druglikeness | 5.819 |
| 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 | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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