(9E)-5-(2-chlorophenyl)-9-[(2-chlorophenyl)methylidene]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
Formula:C29H21N2Cl2FS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(9E)-5-(2-chlorophenyl)-9-[(2-chlorophenyl)methylidene]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline is not a drug-like molecule.
| MolName | (9E)-5-(2-chlorophenyl)-9-[(2-chlorophenyl)methylidene]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline |
| MolecularFormula | C29H21N2Cl2FS |
| Smiles | Fc(cc1)ccc1C1=CSC2=NC(/C(/CCC3)=C/c(cccc4)c4Cl)=C3C(c(cccc3)c3Cl)N12 |
| InChI | InChI=1S/C29H21Cl2FN2S/c30-24-10-3-1-6-19(24)16-20-7-5-9-23-27(20)33-29-34(28(23)22-8-2-4-11-25(22)31)26(17-35-29)18-12-14-21(32)15-13-18/h1-4,6,8,10-17,28H,5,7,9H2/t28-/m0/s1 |
| InChIK | MGEJAWQHHIAJIO-NDEPHWFRSA-N |
| TotalMolweight | 519.47 |
| Molweight | 519.47 |
| MonoisotopicMass | 518.07865 |
| CLogP | 8.397 |
| CLogS | -8.435 |
| H Acceptors | 2 |
| TotalSurfaceArea | 366.35 |
| Relative PSA | 0.088849 |
| PolarSurfaceArea | 40.9 |
| Druglikeness | -1.8942 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45714 |
| 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 | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (9E)-5-(2-chlorophenyl)-9-[(2-chlorophenyl)methylidene]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline | 2 - (9E)-5-(2-chlorophenyl)-9-[(2-chlorophenyl)methylidene]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off