2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-7-[(Z)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
Formula:C19H11N5ClF3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-7-[(Z)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is a drug-like molecule.
| MolName | 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-7-[(Z)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine |
| MolecularFormula | C19H11N5ClF3S |
| Smiles | FC(c(cn1)cc(Cl)c1Sc1nn2c(/C=C\c3ccccc3)ccnc2n1)(F)F |
| InChI | InChI=1S/C19H11ClF3N5S/c20-15-10-13(19(21,22)23)11-25-16(15)29-18-26-17-24-9-8-14(28(17)27-18)7-6-12-4-2-1-3-5-12/h1-11H |
| InChIK | SZYMCPQYSFTRKI-UHFFFAOYSA-N |
| TotalMolweight | 433.844 |
| Molweight | 433.844 |
| MonoisotopicMass | 433.037576 |
| CLogP | 4.1343 |
| CLogS | -3.529 |
| H Acceptors | 5 |
| TotalSurfaceArea | 301.94 |
| Relative PSA | 0.22958 |
| PolarSurfaceArea | 81.27 |
| Druglikeness | -2.9915 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-7-[(Z)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine | 2 - 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-7-[(Z)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
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