5-phenyl-4-propyl-8-thia-6-azatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-amine
Formula:C21H24N2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-phenyl-4-propyl-8-thia-6-azatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-amine is not a drug-like molecule.
| MolName | 5-phenyl-4-propyl-8-thia-6-azatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-amine |
| MolecularFormula | C21H24N2S |
| Smiles | CCCc1c(-c2ccccc2)nc2sc(CCCCC3)c3c2c1N |
| InChI | InChI=1S/C21H24N2S/c1-2-9-16-19(22)18-15-12-7-4-8-13-17(15)24-21(18)23-20(16)14-10-5-3-6-11-14/h3,5-6,10-11H,2,4,7-9,12-13H2,1H3,(H2,22,23) |
| InChIK | HQBRNJHYBFBRPM-UHFFFAOYSA-N |
| TotalMolweight | 336.502 |
| Molweight | 336.502 |
| MonoisotopicMass | 336.166018 |
| CLogP | 5.5619 |
| CLogS | -6.886 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 265.92 |
| Relative PSA | 0.17524 |
| PolarSurfaceArea | 67.15 |
| Druglikeness | -6.3364 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 5-phenyl-4-propyl-8-thia-6-azatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-amine | 2 - 5-phenyl-4-propyl-8-thia-6-azatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraen-3-amine
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