(5E)-3-[3-(2-chlorophenothiazin-10-yl)-3-oxopropyl]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C23H15N2O3ClS3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(5E)-3-[3-(2-chlorophenothiazin-10-yl)-3-oxopropyl]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-3-[3-(2-chlorophenothiazin-10-yl)-3-oxopropyl]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H15N2O3ClS3 |
| Smiles | O=C(CCN(C(/C(/S1)=C\c2ccco2)=O)C1=S)N1c(cc(cc2)Cl)c2Sc2c1cccc2 |
| InChI | InChI=1S/C23H15ClN2O3S3/c24-14-7-8-19-17(12-14)26(16-5-1-2-6-18(16)31-19)21(27)9-10-25-22(28)20(32-23(25)30)13-15-4-3-11-29-15/h1-8,11-13H,9-10H2 |
| InChIK | PHXFDTRIOJIZBU-UHFFFAOYSA-N |
| TotalMolweight | 499.034 |
| Molweight | 499.034 |
| MonoisotopicMass | 497.99333 |
| CLogP | 4.9787 |
| CLogS | -7.796 |
| H Acceptors | 5 |
| TotalSurfaceArea | 346.91 |
| Relative PSA | 0.31786 |
| PolarSurfaceArea | 136.45 |
| Druglikeness | 4.1702 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-3-[3-(2-chlorophenothiazin-10-yl)-3-oxopropyl]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-[3-(2-chlorophenothiazin-10-yl)-3-oxopropyl]-5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
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