(2Z)-5-amino-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
Formula:C22H16N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-5-amino-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is a drug-like molecule.
| MolName | (2Z)-5-amino-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide |
| MolecularFormula | C22H16N4O4S |
| Smiles | NC(C(C(c(cc1)ccc1O)C(C#N)=C(N)N1C2=O)=C1S/C2=C\c(cc1)ccc1O)=O |
| InChI | InChI=1S/C22H16N4O4S/c23-10-15-17(12-3-7-14(28)8-4-12)18(20(25)29)22-26(19(15)24)21(30)16(31-22)9-11-1-5-13(27)6-2-11/h1-9,17,27-28H,24H2,(H2,25,29)/t17-/m0/s1 |
| InChIK | WDLKEIFOSXUTJR-KRWDZBQOSA-N |
| TotalMolweight | 432.459 |
| Molweight | 432.459 |
| MonoisotopicMass | 432.089226 |
| CLogP | 2.0919 |
| CLogS | -5.487 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 303.81 |
| Relative PSA | 0.38649 |
| PolarSurfaceArea | 178.97 |
| Druglikeness | 0.58493 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-5-amino-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide | 2 - (2Z)-5-amino-6-cyano-7-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
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