N-[(Z)-(4-chlorophenyl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
Formula:C19H13N4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine |
| MolecularFormula | C19H13N4ClS |
| Smiles | Clc1ccc(/C=N\Nc2ncnc3c2c(-c2ccccc2)cs3)cc1 |
| InChI | InChI=1S/C19H13ClN4S/c20-15-8-6-13(7-9-15)10-23-24-18-17-16(14-4-2-1-3-5-14)11-25-19(17)22-12-21-18/h1-12H,(H,21,22,24) |
| InChIK | OPXZVOLIPIRYAJ-UHFFFAOYSA-N |
| TotalMolweight | 364.859 |
| Molweight | 364.859 |
| MonoisotopicMass | 364.054943 |
| CLogP | 6.9297 |
| CLogS | -7.458 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 272.48 |
| Relative PSA | 0.23954 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | 2.8724 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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