(9E)-9-benzylidene-3-(4-chlorophenyl)-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
Formula:C29H23N2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(9E)-9-benzylidene-3-(4-chlorophenyl)-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline is not a drug-like molecule.
| MolName | (9E)-9-benzylidene-3-(4-chlorophenyl)-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline |
| MolecularFormula | C29H23N2ClS |
| Smiles | Clc(cc1)ccc1C1=CSC2=NC(/C(/CCC3)=C/c4ccccc4)=C3C(c3ccccc3)N12 |
| InChI | InChI=1S/C29H23ClN2S/c30-24-16-14-21(15-17-24)26-19-33-29-31-27-23(18-20-8-3-1-4-9-20)12-7-13-25(27)28(32(26)29)22-10-5-2-6-11-22/h1-6,8-11,14-19,28H,7,12-13H2/t28-/m1/s1 |
| InChIK | FXNUVOFDWWIZCT-MUUNZHRXSA-N |
| TotalMolweight | 467.035 |
| Molweight | 467.035 |
| MonoisotopicMass | 466.127045 |
| CLogP | 7.6902 |
| CLogS | -7.385 |
| H Acceptors | 2 |
| TotalSurfaceArea | 344.58 |
| Relative PSA | 0.094463 |
| PolarSurfaceArea | 40.9 |
| Druglikeness | -0.55424 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| 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)-9-benzylidene-3-(4-chlorophenyl)-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline | 2 - (9E)-9-benzylidene-3-(4-chlorophenyl)-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
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