N-[3-benzylsulfanyl-1-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-nitrobenzamide
Formula:C24H21N5O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[3-benzylsulfanyl-1-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-nitrobenzamide is not a drug-like molecule.
| MolName | N-[3-benzylsulfanyl-1-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-nitrobenzamide |
| MolecularFormula | C24H21N5O6S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(C(CSCc2ccccc2)NC(c(cc2)ccc2[N+]([O-])=O)=O)=O)cc1)=O |
| InChI | InChI=1S/C24H21N5O6S/c30-23(19-8-12-21(13-9-19)29(34)35)26-22(16-36-15-18-4-2-1-3-5-18)24(31)27-25-14-17-6-10-20(11-7-17)28(32)33/h1-14,22H,15-16H2,(H,26,30)(H,27,31)/t22-/m0/s1 |
| InChIK | FPEYAFJVJUFAPZ-QFIPXVFZSA-N |
| TotalMolweight | 507.526 |
| Molweight | 507.526 |
| MonoisotopicMass | 507.121255 |
| CLogP | 2.4348 |
| CLogS | -6.742 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 380.81 |
| Relative PSA | 0.36459 |
| PolarSurfaceArea | 187.5 |
| Druglikeness | 1.8129 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| StereoCenters | 1 |
| Rotatable Bond | 11 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[3-benzylsulfanyl-1-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-nitrobenzamide | 2 - N-[3-benzylsulfanyl-1-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]-4-nitrobenzamide
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