(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C23H18N4O5S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C23H18N4O5S3 |
| Smiles | [O-][N+](c1cccc(-c(c(/C=C(/C(N2C(CC3)CS3(=O)=O)=O)\SC2=S)c2)nn2-c2ccccc2)c1)=O |
| InChI | InChI=1S/C23H18N4O5S3/c28-22-20(34-23(33)26(22)19-9-10-35(31,32)14-19)12-16-13-25(17-6-2-1-3-7-17)24-21(16)15-5-4-8-18(11-15)27(29)30/h1-8,11-13,19H,9-10,14H2/t19-/m1/s1 |
| InChIK | RXQIUDLJDRSYBA-LJQANCHMSA-N |
| TotalMolweight | 526.617 |
| Molweight | 526.617 |
| MonoisotopicMass | 526.043931 |
| CLogP | 0.7582 |
| CLogS | -5.655 |
| H Acceptors | 9 |
| TotalSurfaceArea | 362.73 |
| Relative PSA | 0.38298 |
| PolarSurfaceArea | 183.86 |
| Druglikeness | -2.4476 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(1,1-dioxothiolan-3-yl)-5-[[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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