2-[(E)-2-phenylethenyl]-2,3-dihydro-1H-quinazoline-4-thione
Formula:C16H14N2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylethenyl]-2,3-dihydro-1H-quinazoline-4-thione is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]-2,3-dihydro-1H-quinazoline-4-thione |
| MolecularFormula | C16H14N2S |
| Smiles | S=C1NC(/C=C/c2ccccc2)Nc2c1cccc2 |
| InChI | InChI=1S/C16H14N2S/c19-16-13-8-4-5-9-14(13)17-15(18-16)11-10-12-6-2-1-3-7-12/h1-11,15,17H,(H,18,19)/t15-/m0/s1 |
| InChIK | HHBSKDAWXZHNJR-HNNXBMFYSA-N |
| TotalMolweight | 266.367 |
| Molweight | 266.367 |
| MonoisotopicMass | 266.087768 |
| CLogP | 3.0858 |
| CLogS | -3.618 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 214.15 |
| Relative PSA | 0.23778 |
| PolarSurfaceArea | 56.15 |
| Druglikeness | -0.34415 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon | racemate |
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1 - 2-[(E)-2-phenylethenyl]-2,3-dihydro-1H-quinazoline-4-thione | 2 - 2-[(E)-2-phenylethenyl]-2,3-dihydro-1H-quinazoline-4-thione
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