[4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
Formula:C29H21N3O7Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate |
| MolecularFormula | C29H21N3O7Cl2S |
| Smiles | O=C(CNS(c1ccccc1)(=O)=O)N/N=C\c(ccc(OC(c(cc1)ccc1Cl)=O)c1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C29H21Cl2N3O7S/c30-22-11-6-19(7-12-22)28(36)40-24-15-10-21(26(16-24)41-29(37)20-8-13-23(31)14-9-20)17-32-34-27(35)18-33-42(38,39)25-4-2-1-3-5-25/h1-17,33H,18H2,(H,34,35) |
| InChIK | IMEFPBPLARVJKS-UHFFFAOYSA-N |
| TotalMolweight | 626.472 |
| Molweight | 626.472 |
| MonoisotopicMass | 625.047726 |
| CLogP | 6.0449 |
| CLogS | -7.448 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 446.65 |
| Relative PSA | 0.27344 |
| PolarSurfaceArea | 148.61 |
| Druglikeness | -0.51056 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate | 2 - [4-[(Z)-[[2-(benzenesulfonamido)acetyl]hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
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