N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
Formula:C22H14N5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine |
| MolecularFormula | C22H14N5ClS |
| Smiles | Clc1nc2ccccc2cc1/C=N\Nc1ncnc2c1c(-c1ccccc1)cs2 |
| InChI | InChI=1S/C22H14ClN5S/c23-20-16(10-15-8-4-5-9-18(15)27-20)11-26-28-21-19-17(14-6-2-1-3-7-14)12-29-22(19)25-13-24-21/h1-13H,(H,24,25,28) |
| InChIK | DOWKIHIPAPLQLU-UHFFFAOYSA-N |
| TotalMolweight | 415.907 |
| Molweight | 415.907 |
| MonoisotopicMass | 415.065842 |
| CLogP | 7.3431 |
| CLogS | -7.927 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 305.84 |
| Relative PSA | 0.24928 |
| PolarSurfaceArea | 91.3 |
| Druglikeness | 2.8724 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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