(5Z)-5-(2H-chromen-3-ylmethylidene)-3-cyclopentyl-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C18H17NO2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-(2H-chromen-3-ylmethylidene)-3-cyclopentyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-(2H-chromen-3-ylmethylidene)-3-cyclopentyl-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C18H17NO2S2 |
| Smiles | O=C(/C(/S1)=C/C2=Cc(cccc3)c3OC2)N(C2CCCC2)C1=S |
| InChI | InChI=1S/C18H17NO2S2/c20-17-16(23-18(22)19(17)14-6-2-3-7-14)10-12-9-13-5-1-4-8-15(13)21-11-12/h1,4-5,8-10,14H,2-3,6-7,11H2 |
| InChIK | WDBQMMUXSILDQN-UHFFFAOYSA-N |
| TotalMolweight | 343.47 |
| Molweight | 343.47 |
| MonoisotopicMass | 343.070069 |
| CLogP | 3.021 |
| CLogS | -4.742 |
| H Acceptors | 3 |
| TotalSurfaceArea | 251.73 |
| Relative PSA | 0.28634 |
| PolarSurfaceArea | 86.93 |
| Druglikeness | 0.41005 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (5Z)-5-(2H-chromen-3-ylmethylidene)-3-cyclopentyl-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-(2H-chromen-3-ylmethylidene)-3-cyclopentyl-2-sulfanylidene-1,3-thiazolidin-4-one
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