(5Z)-2-imino-5-[(5-nitro-2-phenylmethoxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
Formula:C20H14N4O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-2-imino-5-[(5-nitro-2-phenylmethoxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-2-imino-5-[(5-nitro-2-phenylmethoxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one |
| MolecularFormula | C20H14N4O4S2 |
| Smiles | N=C(N(C1=O)c2nccs2)S/C1=C\c(cc(cc1)[N+]([O-])=O)c1OCc1ccccc1 |
| InChI | InChI=1S/C20H14N4O4S2/c21-19-23(20-22-8-9-29-20)18(25)17(30-19)11-14-10-15(24(26)27)6-7-16(14)28-12-13-4-2-1-3-5-13/h1-11,21H,12H2 |
| InChIK | QBXRQPJWKKTHIS-UHFFFAOYSA-N |
| TotalMolweight | 438.487 |
| Molweight | 438.487 |
| MonoisotopicMass | 438.045646 |
| CLogP | 2.8903 |
| CLogS | -5.346 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 311.97 |
| Relative PSA | 0.38924 |
| PolarSurfaceArea | 165.64 |
| Druglikeness | -1.2181 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (5Z)-2-imino-5-[(5-nitro-2-phenylmethoxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one | 2 - (5Z)-2-imino-5-[(5-nitro-2-phenylmethoxyphenyl)methylidene]-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
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