6-(4-chlorophenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Formula:C20H16N5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-(4-chlorophenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is a drug-like molecule.
| MolName | 6-(4-chlorophenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine |
| MolecularFormula | C20H16N5ClS |
| Smiles | Nc(n(c(nc1)n2)nc2SC/C=C/c2ccccc2)c1-c(cc1)ccc1Cl |
| InChI | InChI=1S/C20H16ClN5S/c21-16-10-8-15(9-11-16)17-13-23-19-24-20(25-26(19)18(17)22)27-12-4-7-14-5-2-1-3-6-14/h1-11,13H,12,22H2 |
| InChIK | GEIVCNNEVZTGTC-UHFFFAOYSA-N |
| TotalMolweight | 393.901 |
| Molweight | 393.901 |
| MonoisotopicMass | 393.081492 |
| CLogP | 4.1879 |
| CLogS | -5.144 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 296 |
| Relative PSA | 0.24872 |
| PolarSurfaceArea | 94.4 |
| Druglikeness | 4.1758 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 6-(4-chlorophenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | 2 - 6-(4-chlorophenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
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