(4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
Formula:C23H14N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C23H14N3O4ClS |
| Smiles | O/C(/c1ccncc1)=C(\C(c(cc1)ccc1O)N(C1=O)c2nc(ccc(Cl)c3)c3s2)/C1=O |
| InChI | InChI=1S/C23H14ClN3O4S/c24-14-3-6-16-17(11-14)32-23(26-16)27-19(12-1-4-15(28)5-2-12)18(21(30)22(27)31)20(29)13-7-9-25-10-8-13/h1-11,19,28-29H/t19-/m1/s1 |
| InChIK | GEVPZXFXBMBTEN-LJQANCHMSA-N |
| TotalMolweight | 463.9 |
| Molweight | 463.9 |
| MonoisotopicMass | 463.039354 |
| CLogP | 3.4961 |
| CLogS | -4.605 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 316.68 |
| Relative PSA | 0.30987 |
| PolarSurfaceArea | 131.86 |
| Druglikeness | -0.10992 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione | 2 - (4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-5-(4-hydroxyphenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
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