(9E)-3-(4-bromophenyl)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
Formula:C29H21N2BrF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(9E)-3-(4-bromophenyl)-5-(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-(4-bromophenyl)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline |
| MolecularFormula | C29H21N2BrF2S |
| Smiles | Fc1ccc(C2N(C(c(cc3)ccc3Br)=CS3)C3=NC3=C2CCC/C3=C\c(cc2)ccc2F)cc1 |
| InChI | InChI=1S/C29H21BrF2N2S/c30-22-10-6-19(7-11-22)26-17-35-29-33-27-21(16-18-4-12-23(31)13-5-18)2-1-3-25(27)28(34(26)29)20-8-14-24(32)15-9-20/h4-17,28H,1-3H2/t28-/m1/s1 |
| InChIK | AFLSBKNEEABTPO-MUUNZHRXSA-N |
| TotalMolweight | 547.466 |
| Molweight | 547.466 |
| MonoisotopicMass | 546.057685 |
| CLogP | 8.011 |
| CLogS | -8.111 |
| H Acceptors | 2 |
| TotalSurfaceArea | 360.49 |
| Relative PSA | 0.090294 |
| PolarSurfaceArea | 40.9 |
| Druglikeness | -3.7364 |
| 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-(4-bromophenyl)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline | 2 - (9E)-3-(4-bromophenyl)-5-(4-fluorophenyl)-9-[(4-fluorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
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