| MolName | 4,6-dimethyl-N-(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)quinazolin-2-amine |
| MolecularFormula | C24H23N5 |
| Smiles | Cc1ccc2nc(Nc3nc(-c4ccccc4)c(CCCC4)c4n3)nc(C)c2c1 |
| InChI | InChI=1S/C24H23N5/c1-15-12-13-21-19(14-15)16(2)25-23(27-21)29-24-26-20-11-7-6-10-18(20)22(28-24)17-8-4-3-5-9-17/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3,(H,25,26,27,28,29) |
| InChIK | JQDNSCRBUAZXMW-UHFFFAOYSA-N |
| TotalMolweight | 381.482 |
| Molweight | 381.482 |
| MonoisotopicMass | 381.195345 |
| CLogP | 5.8223 |
| CLogS | -6.835 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 299.94 |
| Relative PSA | 0.1845 |
| PolarSurfaceArea | 63.59 |
| Druglikeness | -6.3889 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 4,6-dimethyl-N-(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)quinazolin-2-amine | 2 - 4,6-dimethyl-N-(4-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)quinazolin-2-amine