(6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Formula:C28H23N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.
| MolName | (6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C28H23N3O3S |
| Smiles | CCOc(cc(/C=C(/C(N(C(c1ccccc1)=CS1)C1=N1)=N)\C1=O)cc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C28H23N3O3S/c1-2-33-25-16-20(13-14-24(25)34-17-19-9-5-3-6-10-19)15-22-26(29)31-23(21-11-7-4-8-12-21)18-35-28(31)30-27(22)32/h3-16,18,29H,2,17H2,1H3 |
| InChIK | PIMUEQZHXJBHAM-UHFFFAOYSA-N |
| TotalMolweight | 481.575 |
| Molweight | 481.575 |
| MonoisotopicMass | 481.146012 |
| CLogP | 4.4884 |
| CLogS | -5.128 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 363.8 |
| Relative PSA | 0.22317 |
| PolarSurfaceArea | 100.28 |
| Druglikeness | 1.821 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-6-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
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