N-[(Z)-[5-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylfuran-2-yl]methylideneamino]-2-nitrobenzamide
Formula:C24H18N4O5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylfuran-2-yl]methylideneamino]-2-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylfuran-2-yl]methylideneamino]-2-nitrobenzamide |
| MolecularFormula | C24H18N4O5S |
| Smiles | [O-][N+](c(cccc1)c1C(N/N=C\c(o1)ccc1SCC(Nc1cc2ccccc2cc1)=O)=O)=O |
| InChI | InChI=1S/C24H18N4O5S/c29-22(26-18-10-9-16-5-1-2-6-17(16)13-18)15-34-23-12-11-19(33-23)14-25-27-24(30)20-7-3-4-8-21(20)28(31)32/h1-14H,15H2,(H,26,29)(H,27,30) |
| InChIK | HAYJLWYOYAYLOZ-UHFFFAOYSA-N |
| TotalMolweight | 474.496 |
| Molweight | 474.496 |
| MonoisotopicMass | 474.099791 |
| CLogP | 4.1208 |
| CLogS | -7.286 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 355.17 |
| Relative PSA | 0.34499 |
| PolarSurfaceArea | 154.82 |
| Druglikeness | 2.1825 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[5-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylfuran-2-yl]methylideneamino]-2-nitrobenzamide | 2 - N-[(Z)-[5-[2-(naphthalen-2-ylamino)-2-oxoethyl]sulfanylfuran-2-yl]methylideneamino]-2-nitrobenzamide
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