(9E)-5-(4-bromophenyl)-9-[(4-bromophenyl)methylidene]-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
Formula:C29H21N2Br2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(9E)-5-(4-bromophenyl)-9-[(4-bromophenyl)methylidene]-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline is not a drug-like molecule.
| MolName | (9E)-5-(4-bromophenyl)-9-[(4-bromophenyl)methylidene]-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline |
| MolecularFormula | C29H21N2Br2ClS |
| Smiles | Clc(cc1)ccc1C1=CSC2=NC(/C(/CCC3)=C/c(cc4)ccc4Br)=C3C(c(cc3)ccc3Br)N12 |
| InChI | InChI=1S/C29H21Br2ClN2S/c30-22-10-4-18(5-11-22)16-21-2-1-3-25-27(21)33-29-34(28(25)20-6-12-23(31)13-7-20)26(17-35-29)19-8-14-24(32)15-9-19/h4-17,28H,1-3H2/t28-/m0/s1 |
| InChIK | HSJCNFNJIZNXGT-NDEPHWFRSA-N |
| TotalMolweight | 624.827 |
| Molweight | 624.827 |
| MonoisotopicMass | 621.948067 |
| CLogP | 9.1406 |
| CLogS | -9.053 |
| H Acceptors | 2 |
| TotalSurfaceArea | 381.84 |
| Relative PSA | 0.085245 |
| PolarSurfaceArea | 40.9 |
| Druglikeness | -2.3442 |
| 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)-5-(4-bromophenyl)-9-[(4-bromophenyl)methylidene]-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline | 2 - (9E)-5-(4-bromophenyl)-9-[(4-bromophenyl)methylidene]-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline
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