(2Z,9E)-9-benzylidene-2-[(4-nitrophenyl)methylidene]-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
Formula:C30H23N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z,9E)-9-benzylidene-2-[(4-nitrophenyl)methylidene]-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one is not a drug-like molecule.
| MolName | (2Z,9E)-9-benzylidene-2-[(4-nitrophenyl)methylidene]-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one |
| MolecularFormula | C30H23N3O3S |
| Smiles | [O-][N+](c1ccc(/C=C2\SC3=NC(/C(/CCC4)=C/c5ccccc5)=C4C(c4ccccc4)N3C2=O)cc1)=O |
| InChI | InChI=1S/C30H23N3O3S/c34-29-26(19-21-14-16-24(17-15-21)33(35)36)37-30-31-27-23(18-20-8-3-1-4-9-20)12-7-13-25(27)28(32(29)30)22-10-5-2-6-11-22/h1-6,8-11,14-19,28H,7,12-13H2/t28-/m0/s1 |
| InChIK | XEDBYECHYHTNLN-NDEPHWFRSA-N |
| TotalMolweight | 505.597 |
| Molweight | 505.597 |
| MonoisotopicMass | 505.146012 |
| CLogP | 5.6394 |
| CLogS | -7.437 |
| H Acceptors | 6 |
| TotalSurfaceArea | 370.58 |
| Relative PSA | 0.20511 |
| PolarSurfaceArea | 103.79 |
| Druglikeness | -3.8736 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48649 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z,9E)-9-benzylidene-2-[(4-nitrophenyl)methylidene]-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one | 2 - (2Z,9E)-9-benzylidene-2-[(4-nitrophenyl)methylidene]-5-phenyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
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