N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
Formula:C23H18N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide |
| MolecularFormula | C23H18N2O5 |
| Smiles | O=C(C1Oc2cc3ccccc3cc2OC1)N/N=C/C=C/c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C23H18N2O5/c26-23(25-24-9-3-4-15-7-8-18-19(10-15)29-14-28-18)22-13-27-20-11-16-5-1-2-6-17(16)12-21(20)30-22/h1-12,22H,13-14H2,(H,25,26)/t22-/m0/s1 |
| InChIK | SRULHOCCOJPFSY-QFIPXVFZSA-N |
| TotalMolweight | 402.405 |
| Molweight | 402.405 |
| MonoisotopicMass | 402.121573 |
| CLogP | 4.0678 |
| CLogS | -6.352 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 301.11 |
| Relative PSA | 0.25243 |
| PolarSurfaceArea | 78.38 |
| Druglikeness | 4.9746 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 7 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide | 2 - N-[(E)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-2,3-dihydrobenzo[g][1,4]benzodioxine-3-carboxamide
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