(Z)-4-(4-chlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine
Formula:C24H21N4O3ClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(4-chlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-4-(4-chlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C24H21N4O3ClS3 |
| Smiles | O=S(c(cc1)ccc1/N=C1/SC=C(c(cc2)ccc2Cl)N1/N=C\c1cccs1)(N1CCOCC1)=O |
| InChI | InChI=1S/C24H21ClN4O3S3/c25-19-5-3-18(4-6-19)23-17-34-24(29(23)26-16-21-2-1-15-33-21)27-20-7-9-22(10-8-20)35(30,31)28-11-13-32-14-12-28/h1-10,15-17H,11-14H2 |
| InChIK | LSLCKSGPCCWHNO-UHFFFAOYSA-N |
| TotalMolweight | 545.107 |
| Molweight | 545.107 |
| MonoisotopicMass | 544.046428 |
| CLogP | 4.8795 |
| CLogS | -5.586 |
| H Acceptors | 7 |
| TotalSurfaceArea | 381.29 |
| Relative PSA | 0.27945 |
| PolarSurfaceArea | 136.49 |
| Druglikeness | 4.8994 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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1 - (Z)-4-(4-chlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-4-(4-chlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine
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