(5Z)-2-imino-5-[(5-nitro-2-phenylmethoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Formula:C24H16N3O4F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-2-imino-5-[(5-nitro-2-phenylmethoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-2-imino-5-[(5-nitro-2-phenylmethoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one |
| MolecularFormula | C24H16N3O4F3S |
| Smiles | N=C(N(C1=O)c2cc(C(F)(F)F)ccc2)S/C1=C\c(cc(cc1)[N+]([O-])=O)c1OCc1ccccc1 |
| InChI | InChI=1S/C24H16F3N3O4S/c25-24(26,27)17-7-4-8-18(13-17)29-22(31)21(35-23(29)28)12-16-11-19(30(32)33)9-10-20(16)34-14-15-5-2-1-3-6-15/h1-13,28H,14H2 |
| InChIK | RMMUFNXTFCGTTG-UHFFFAOYSA-N |
| TotalMolweight | 499.468 |
| Molweight | 499.468 |
| MonoisotopicMass | 499.081361 |
| CLogP | 4.1133 |
| CLogS | -6.391 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 346.73 |
| Relative PSA | 0.25986 |
| PolarSurfaceArea | 124.51 |
| Druglikeness | -8.9364 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-2-imino-5-[(5-nitro-2-phenylmethoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one | 2 - (5Z)-2-imino-5-[(5-nitro-2-phenylmethoxyphenyl)methylidene]-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
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