[4-[(2E)-2-(benzenesulfonylimino)-3-cyclohexyl-1,3-thiazol-4-yl]phenyl] benzoate
Formula:C28H26N2O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[4-[(2E)-2-(benzenesulfonylimino)-3-cyclohexyl-1,3-thiazol-4-yl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-[(2E)-2-(benzenesulfonylimino)-3-cyclohexyl-1,3-thiazol-4-yl]phenyl] benzoate |
| MolecularFormula | C28H26N2O4S2 |
| Smiles | O=C(c1ccccc1)Oc(cc1)ccc1C(N1C2CCCCC2)=CS/C1=N/S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C28H26N2O4S2/c31-27(22-10-4-1-5-11-22)34-24-18-16-21(17-19-24)26-20-35-28(30(26)23-12-6-2-7-13-23)29-36(32,33)25-14-8-3-9-15-25/h1,3-5,8-11,14-20,23H,2,6-7,12-13H2 |
| InChIK | RCTHQBLEUQGIPA-UHFFFAOYSA-N |
| TotalMolweight | 518.656 |
| Molweight | 518.656 |
| MonoisotopicMass | 518.133398 |
| CLogP | 6.4543 |
| CLogS | -6.595 |
| H Acceptors | 6 |
| TotalSurfaceArea | 378.88 |
| Relative PSA | 0.22215 |
| PolarSurfaceArea | 109.72 |
| Druglikeness | -8.4764 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 9 |
| BasicNitrogens | 1 |
| StereoCon |
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