N-[(Z)-[(4S)-2,4-diphenyl-4H-chromen-3-yl]methylideneamino]-5-nitrofuran-2-carboxamide
Formula:C27H19N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(4S)-2,4-diphenyl-4H-chromen-3-yl]methylideneamino]-5-nitrofuran-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(4S)-2,4-diphenyl-4H-chromen-3-yl]methylideneamino]-5-nitrofuran-2-carboxamide |
| MolecularFormula | C27H19N3O5 |
| Smiles | [O-][N+](c1ccc(C(N/N=C\C([C@H]2c3ccccc3)=C(c3ccccc3)Oc3c2cccc3)=O)o1)=O |
| InChI | InChI=1S/C27H19N3O5/c31-27(23-15-16-24(34-23)30(32)33)29-28-17-21-25(18-9-3-1-4-10-18)20-13-7-8-14-22(20)35-26(21)19-11-5-2-6-12-19/h1-17,25H,(H,29,31)/t25-/m0/s1 |
| InChIK | MHOYKVUBLKYOGY-VWLOTQADSA-N |
| TotalMolweight | 465.464 |
| Molweight | 465.464 |
| MonoisotopicMass | 465.132472 |
| CLogP | 4.3958 |
| CLogS | -6.992 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 351.79 |
| Relative PSA | 0.25737 |
| PolarSurfaceArea | 109.65 |
| Druglikeness | 1.6534 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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1 - N-[(Z)-[(4S)-2,4-diphenyl-4H-chromen-3-yl]methylideneamino]-5-nitrofuran-2-carboxamide | 2 - N-[(Z)-[(4S)-2,4-diphenyl-4H-chromen-3-yl]methylideneamino]-5-nitrofuran-2-carboxamide
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