N-(4-methoxyphenyl)-3-nitro-4-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
Formula:C23H24N4O8S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-methoxyphenyl)-3-nitro-4-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide is not a drug-like molecule.
| MolName | N-(4-methoxyphenyl)-3-nitro-4-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide |
| MolecularFormula | C23H24N4O8S |
| Smiles | COc(cc1)ccc1NS(c(cc1)cc([N+]([O-])=O)c1N/N=C\c(cc1OC)cc(OC)c1OC)(=O)=O |
| InChI | InChI=1S/C23H24N4O8S/c1-32-17-7-5-16(6-8-17)26-36(30,31)18-9-10-19(20(13-18)27(28)29)25-24-14-15-11-21(33-2)23(35-4)22(12-15)34-3/h5-14,25-26H,1-4H3 |
| InChIK | OTJSNNCCXJCXHF-UHFFFAOYSA-N |
| TotalMolweight | 516.53 |
| Molweight | 516.53 |
| MonoisotopicMass | 516.131486 |
| CLogP | 3.9384 |
| CLogS | -5.014 |
| H Acceptors | 12 |
| H Donors | 2 |
| TotalSurfaceArea | 381.75 |
| Relative PSA | 0.34952 |
| PolarSurfaceArea | 161.68 |
| Druglikeness | -2.0678 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 7 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-(4-methoxyphenyl)-3-nitro-4-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide | 2 - N-(4-methoxyphenyl)-3-nitro-4-[(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
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