(2S)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide
Formula:C19H20N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide is a drug-like molecule.
| MolName | (2S)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide |
| MolecularFormula | C19H20N4O4 |
| Smiles | O=C([C@H](c1ccncc1)N1CCOCC1)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C19H20N4O4/c24-19(22-21-12-14-1-2-16-17(11-14)27-13-26-16)18(15-3-5-20-6-4-15)23-7-9-25-10-8-23/h1-6,11-12,18H,7-10,13H2,(H,22,24)/t18-/m0/s1 |
| InChIK | CENKKKMYUYUUQR-SFHVURJKSA-N |
| TotalMolweight | 368.392 |
| Molweight | 368.392 |
| MonoisotopicMass | 368.148456 |
| CLogP | 1.4293 |
| CLogS | -2.751 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 280.35 |
| Relative PSA | 0.28725 |
| PolarSurfaceArea | 85.28 |
| Druglikeness | 6.2965 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (2S)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide | 2 - (2S)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-morpholin-4-yl-2-pyridin-4-ylacetamide
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