[(E)-[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate
Formula:C20H13N5O4F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate is not a drug-like molecule.
| MolName | [(E)-[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate |
| MolecularFormula | C20H13N5O4F6 |
| Smiles | N/C(/c1nccnc1Oc1cc(C(F)(F)F)ccc1)=N/OC(Nc(cc1)ccc1OC(F)(F)F)=O |
| InChI | InChI=1S/C20H13F6N5O4/c21-19(22,23)11-2-1-3-14(10-11)33-17-15(28-8-9-29-17)16(27)31-35-18(32)30-12-4-6-13(7-5-12)34-20(24,25)26/h1-10H,(H2,27,31)(H,30,32) |
| InChIK | HMUSWKACTOYCPK-UHFFFAOYSA-N |
| TotalMolweight | 501.342 |
| Molweight | 501.342 |
| MonoisotopicMass | 501.087173 |
| CLogP | 4.8125 |
| CLogS | -7.109 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 339.92 |
| Relative PSA | 0.30366 |
| PolarSurfaceArea | 120.95 |
| Druglikeness | -16.456 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(E)-[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate | 2 - [(E)-[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] N-[4-(trifluoromethoxy)phenyl]carbamate
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