(4Z)-1-(1,3-benzothiazol-2-yl)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Formula:C24H16N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4Z)-1-(1,3-benzothiazol-2-yl)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4Z)-1-(1,3-benzothiazol-2-yl)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione |
| MolecularFormula | C24H16N2O4S |
| Smiles | O/C(/c1ccccc1)=C(/C(c(cc1)ccc1O)N(C1=O)c2nc(cccc3)c3s2)\C1=O |
| InChI | InChI=1S/C24H16N2O4S/c27-16-12-10-14(11-13-16)20-19(21(28)15-6-2-1-3-7-15)22(29)23(30)26(20)24-25-17-8-4-5-9-18(17)31-24/h1-13,20,27-28H/t20-/m1/s1 |
| InChIK | UJRQUOSCROEVCF-HXUWFJFHSA-N |
| TotalMolweight | 428.467 |
| Molweight | 428.467 |
| MonoisotopicMass | 428.083078 |
| CLogP | 3.891 |
| CLogS | -4.664 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 302.5 |
| Relative PSA | 0.28813 |
| PolarSurfaceArea | 118.97 |
| Druglikeness | -0.16033 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.41935 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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 | 1 |
| StereoCon | racemate |
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1 - (4Z)-1-(1,3-benzothiazol-2-yl)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione | 2 - (4Z)-1-(1,3-benzothiazol-2-yl)-5-(4-hydroxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
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