N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
Formula:C17H18N6O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide |
| MolecularFormula | C17H18N6O4S |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(CSc2ncccn2)=O)c1N1CCOCC1)=O |
| InChI | InChI=1S/C17H18N6O4S/c24-16(12-28-17-18-4-1-5-19-17)21-20-11-13-10-14(23(25)26)2-3-15(13)22-6-8-27-9-7-22/h1-5,10-11H,6-9,12H2,(H,21,24) |
| InChIK | YCTJQQQGDKOEEC-UHFFFAOYSA-N |
| TotalMolweight | 402.434 |
| Molweight | 402.434 |
| MonoisotopicMass | 402.111024 |
| CLogP | 0.8407 |
| CLogS | -3.591 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 301.27 |
| Relative PSA | 0.39636 |
| PolarSurfaceArea | 150.83 |
| Druglikeness | 0.37942 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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