(NE)-N-[4-chloro-5-[(E)-(5-oxo-2-thiophen-2-yl-1,3-oxazol-4-ylidene)methyl]-3-phenyl-1,3-thiazol-2-ylidene]benzenesulfonamide
Formula:C23H14N3O4ClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[4-chloro-5-[(E)-(5-oxo-2-thiophen-2-yl-1,3-oxazol-4-ylidene)methyl]-3-phenyl-1,3-thiazol-2-ylidene]benzenesulfonamide is not a drug-like molecule.
| MolName | (NE)-N-[4-chloro-5-[(E)-(5-oxo-2-thiophen-2-yl-1,3-oxazol-4-ylidene)methyl]-3-phenyl-1,3-thiazol-2-ylidene]benzenesulfonamide |
| MolecularFormula | C23H14N3O4ClS3 |
| Smiles | O=C1OC(c2cccs2)=N/C1=C/C(S/C(/N1c2ccccc2)=N/S(c2ccccc2)(=O)=O)=C1Cl |
| InChI | InChI=1S/C23H14ClN3O4S3/c24-20-19(14-17-22(28)31-21(25-17)18-12-7-13-32-18)33-23(27(20)15-8-3-1-4-9-15)26-34(29,30)16-10-5-2-6-11-16/h1-14H |
| InChIK | HWFCKKKTXGGOAI-UHFFFAOYSA-N |
| TotalMolweight | 528.032 |
| Molweight | 528.032 |
| MonoisotopicMass | 526.983494 |
| CLogP | 4.7467 |
| CLogS | -7.17 |
| H Acceptors | 7 |
| TotalSurfaceArea | 354.83 |
| Relative PSA | 0.32703 |
| PolarSurfaceArea | 150.32 |
| Druglikeness | -2.4219 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (NE)-N-[4-chloro-5-[(E)-(5-oxo-2-thiophen-2-yl-1,3-oxazol-4-ylidene)methyl]-3-phenyl-1,3-thiazol-2-ylidene]benzenesulfonamide | 2 - (NE)-N-[4-chloro-5-[(E)-(5-oxo-2-thiophen-2-yl-1,3-oxazol-4-ylidene)methyl]-3-phenyl-1,3-thiazol-2-ylidene]benzenesulfonamide
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