(Z)-4-(1-benzofuran-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-naphthalen-1-ylmethylideneamino]-1,3-thiazol-2-imine
Formula:C32H26N4O4S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-4-(1-benzofuran-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-naphthalen-1-ylmethylideneamino]-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-4-(1-benzofuran-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-naphthalen-1-ylmethylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C32H26N4O4S2 |
| Smiles | O=S(c(cc1)ccc1/N=C1\SC=C(c2cc(cccc3)c3o2)N1/N=C\c1cccc2ccccc12)(N1CCOCC1)=O |
| InChI | InChI=1S/C32H26N4O4S2/c37-42(38,35-16-18-39-19-17-35)27-14-12-26(13-15-27)34-32-36(33-21-25-9-5-8-23-6-1-3-10-28(23)25)29(22-41-32)31-20-24-7-2-4-11-30(24)40-31/h1-15,20-22H,16-19H2 |
| InChIK | KTMGTQOSCDKNMQ-UHFFFAOYSA-N |
| TotalMolweight | 594.714 |
| Molweight | 594.714 |
| MonoisotopicMass | 594.139546 |
| CLogP | 6.1069 |
| CLogS | -7.629 |
| H Acceptors | 8 |
| TotalSurfaceArea | 428.82 |
| Relative PSA | 0.2339 |
| PolarSurfaceArea | 121.39 |
| Druglikeness | 3.9175 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.45238 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - (Z)-4-(1-benzofuran-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-naphthalen-1-ylmethylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-4-(1-benzofuran-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-naphthalen-1-ylmethylideneamino]-1,3-thiazol-2-imine
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