(2Z)-2-[(4-chlorophenyl)methylidene]-5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
Formula:C34H22N4OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(4-chlorophenyl)methylidene]-5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is not a drug-like molecule.
| MolName | (2Z)-2-[(4-chlorophenyl)methylidene]-5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one |
| MolecularFormula | C34H22N4OCl2S |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2Cl)N2C1=NC(c1ccccc1)=CC2c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl |
| InChI | InChI=1S/C34H22Cl2N4OS/c35-25-15-11-22(12-16-25)19-31-33(41)40-30(20-29(37-34(40)42-31)23-7-3-1-4-8-23)28-21-39(27-9-5-2-6-10-27)38-32(28)24-13-17-26(36)18-14-24/h1-21,30H/t30-/m0/s1 |
| InChIK | GFHDFMHFNCBWBT-PMERELPUSA-N |
| TotalMolweight | 605.548 |
| Molweight | 605.548 |
| MonoisotopicMass | 604.089135 |
| CLogP | 7.4084 |
| CLogS | -8.648 |
| H Acceptors | 5 |
| TotalSurfaceArea | 434.53 |
| Relative PSA | 0.14597 |
| PolarSurfaceArea | 75.79 |
| Druglikeness | 5.5117 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.40476 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-2-[(4-chlorophenyl)methylidene]-5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one | 2 - (2Z)-2-[(4-chlorophenyl)methylidene]-5-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
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