3-[(Z)-anthracen-9-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
Formula:C27H17N3OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[(Z)-anthracen-9-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one is not a drug-like molecule.
| MolName | 3-[(Z)-anthracen-9-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one |
| MolecularFormula | C27H17N3OS |
| Smiles | O=C(c1c(N=C2)scc1-c1ccccc1)N2/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C27H17N3OS/c31-27-25-24(18-8-2-1-3-9-18)16-32-26(25)28-17-30(27)29-15-23-21-12-6-4-10-19(21)14-20-11-5-7-13-22(20)23/h1-17H |
| InChIK | VTLQNOGJAOMSJU-UHFFFAOYSA-N |
| TotalMolweight | 431.518 |
| Molweight | 431.518 |
| MonoisotopicMass | 431.109232 |
| CLogP | 6.494 |
| CLogS | -9.147 |
| H Acceptors | 4 |
| TotalSurfaceArea | 321.99 |
| Relative PSA | 0.18625 |
| PolarSurfaceArea | 73.27 |
| Druglikeness | 5.7363 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - 3-[(Z)-anthracen-9-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one | 2 - 3-[(Z)-anthracen-9-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
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