[(E)-[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] N-(4-chlorophenyl)carbamate
Formula:C19H13N5O3ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] N-(4-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C19H13N5O3ClF3 |
| Smiles | N/C(/c1nccnc1Oc1cc(C(F)(F)F)ccc1)=N/OC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C19H13ClF3N5O3/c20-12-4-6-13(7-5-12)27-18(29)31-28-16(24)15-17(26-9-8-25-15)30-14-3-1-2-11(10-14)19(21,22)23/h1-10H,(H2,24,28)(H,27,29) |
| InChIK | GDPOXTUKVLKTRV-UHFFFAOYSA-N |
| TotalMolweight | 451.791 |
| Molweight | 451.791 |
| MonoisotopicMass | 451.065901 |
| CLogP | 4.3195 |
| CLogS | -6.822 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 315.88 |
| Relative PSA | 0.29511 |
| PolarSurfaceArea | 111.72 |
| Druglikeness | -12.836 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(E)-[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] N-(4-chlorophenyl)carbamate | 2 - [(E)-[amino-[3-[3-(trifluoromethyl)phenoxy]pyrazin-2-yl]methylidene]amino] N-(4-chlorophenyl)carbamate
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