(2R)-N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide
Formula:C18H16N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2R)-N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide is a drug-like molecule.
| MolName | (2R)-N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide |
| MolecularFormula | C18H16N2O4 |
| Smiles | O[C@@H](C(N/N=C\C=C\c(cc1)cc2c1OCO2)=O)c1ccccc1 |
| InChI | InChI=1S/C18H16N2O4/c21-17(14-6-2-1-3-7-14)18(22)20-19-10-4-5-13-8-9-15-16(11-13)24-12-23-15/h1-11,17,21H,12H2,(H,20,22)/t17-/m1/s1 |
| InChIK | FMCQSGUNTPFLCL-QGZVFWFLSA-N |
| TotalMolweight | 324.335 |
| Molweight | 324.335 |
| MonoisotopicMass | 324.111008 |
| CLogP | 2.2593 |
| CLogS | -4.141 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 252.6 |
| Relative PSA | 0.27359 |
| PolarSurfaceArea | 80.15 |
| Druglikeness | 5.1017 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
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1 - (2R)-N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide | 2 - (2R)-N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide
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