(9E)-3,5-bis(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
Formula:C29H21N2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(9E)-3,5-bis(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline is not a drug-like molecule.
| MolName | (9E)-3,5-bis(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline |
| MolecularFormula | C29H21N2F3S |
| Smiles | Fc1ccc(C2N(C(c(cc3)ccc3F)=CS3)C3=NC3=C2CCC/C3=C\c(cc2)ccc2F)cc1 |
| InChI | InChI=1S/C29H21F3N2S/c30-22-10-4-18(5-11-22)16-21-2-1-3-25-27(21)33-29-34(28(25)20-8-14-24(32)15-9-20)26(17-35-29)19-6-12-23(31)13-7-19/h4-17,28H,1-3H2/t28-/m0/s1 |
| InChIK | SDTJDPZWFXVYIW-NDEPHWFRSA-N |
| TotalMolweight | 486.56 |
| Molweight | 486.56 |
| MonoisotopicMass | 486.137752 |
| CLogP | 7.3866 |
| CLogS | -7.591 |
| H Acceptors | 2 |
| TotalSurfaceArea | 348.21 |
| Relative PSA | 0.093478 |
| PolarSurfaceArea | 40.9 |
| Druglikeness | -1.9464 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48571 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (9E)-3,5-bis(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline | 2 - (9E)-3,5-bis(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
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