[4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
Formula:C34H23N3O7Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate |
| MolecularFormula | C34H23N3O7Cl2S |
| Smiles | O=C(c(cc1)ccc1NS(c1ccccc1)(=O)=O)N/N=C\c(ccc(OC(c(cc1)ccc1Cl)=O)c1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C34H23Cl2N3O7S/c35-26-13-6-23(7-14-26)33(41)45-29-19-12-25(31(20-29)46-34(42)24-8-15-27(36)16-9-24)21-37-38-32(40)22-10-17-28(18-11-22)39-47(43,44)30-4-2-1-3-5-30/h1-21,39H,(H,38,40) |
| InChIK | XQJPGPAHXFBIGB-UHFFFAOYSA-N |
| TotalMolweight | 688.543 |
| Molweight | 688.543 |
| MonoisotopicMass | 687.063376 |
| CLogP | 7.5737 |
| CLogS | -9.466 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 492.65 |
| Relative PSA | 0.2479 |
| PolarSurfaceArea | 148.61 |
| Druglikeness | -0.2949 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53191 |
| Fragments | 1 |
| Non HAtoms | 47 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 11 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 3 |
| Symmetricatoms | 9 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate | 2 - [4-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]-3-(4-chlorobenzoyl)oxyphenyl] 4-chlorobenzoate
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