7-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
Formula:C20H16N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
7-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine is a drug-like molecule.
| MolName | 7-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine |
| MolecularFormula | C20H16N4S |
| Smiles | C(/C=C/c1ccccc1)Sc1nn2c(-c3ccccc3)ccnc2n1 |
| InChI | InChI=1S/C20H16N4S/c1-3-8-16(9-4-1)10-7-15-25-20-22-19-21-14-13-18(24(19)23-20)17-11-5-2-6-12-17/h1-14H,15H2 |
| InChIK | HNMHPWAJDNILDQ-UHFFFAOYSA-N |
| TotalMolweight | 344.441 |
| Molweight | 344.441 |
| MonoisotopicMass | 344.109566 |
| CLogP | 3.9988 |
| CLogS | -3.499 |
| H Acceptors | 4 |
| TotalSurfaceArea | 272.06 |
| Relative PSA | 0.21447 |
| PolarSurfaceArea | 68.38 |
| Druglikeness | 4.2325 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 7-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine | 2 - 7-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-[1,2,4]triazolo[1,5-a]pyrimidine
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