[(E)-[amino-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]amino] N-(4-chlorophenyl)carbamate
Formula:C16H9N6O2ClF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]amino] N-(4-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-[amino-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C16H9N6O2ClF6 |
| Smiles | N/C(/c1c2nc(C(F)(F)F)cc(C(F)(F)F)n2nc1)=N/OC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C16H9ClF6N6O2/c17-7-1-3-8(4-2-7)26-14(30)31-28-12(24)9-6-25-29-11(16(21,22)23)5-10(15(18,19)20)27-13(9)29/h1-6H,(H2,24,28)(H,26,30) |
| InChIK | KWFIRPNGNIHVPT-UHFFFAOYSA-N |
| TotalMolweight | 466.728 |
| Molweight | 466.728 |
| MonoisotopicMass | 466.037969 |
| CLogP | 3.3793 |
| CLogS | -6.214 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 300.83 |
| Relative PSA | 0.30306 |
| PolarSurfaceArea | 106.9 |
| Druglikeness | -11.414 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]amino] N-(4-chlorophenyl)carbamate | 2 - [(E)-[amino-[5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]amino] N-(4-chlorophenyl)carbamate
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