2-(4-tert-butylphenyl)-2,3-dihydro-1H-perimidine
Formula:C21H22N2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(4-tert-butylphenyl)-2,3-dihydro-1H-perimidine is a drug-like molecule.
| MolName | 2-(4-tert-butylphenyl)-2,3-dihydro-1H-perimidine |
| MolecularFormula | C21H22N2 |
| Smiles | CC(C)(C)c1ccc(C(N2)Nc3cccc4cccc2c34)cc1 |
| InChI | InChI=1S/C21H22N2/c1-21(2,3)16-12-10-15(11-13-16)20-22-17-8-4-6-14-7-5-9-18(23-20)19(14)17/h4-13,20,22-23H,1-3H3 |
| InChIK | LTCCYFKOIWHOAB-UHFFFAOYSA-N |
| TotalMolweight | 302.42 |
| Molweight | 302.42 |
| MonoisotopicMass | 302.178298 |
| CLogP | 4.6054 |
| CLogS | -5.859 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 236.73 |
| Relative PSA | 0.096819 |
| PolarSurfaceArea | 24.06 |
| Druglikeness | -3.6493 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 9 |
| StereoCon |
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1 - 2-(4-tert-butylphenyl)-2,3-dihydro-1H-perimidine | 2 - 2-(4-tert-butylphenyl)-2,3-dihydro-1H-perimidine
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