[(E)-[amino-[4-(3,5-dichloropyridin-4-yl)oxyphenyl]methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate
Formula:C20H13N4O3Cl2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[4-(3,5-dichloropyridin-4-yl)oxyphenyl]methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate is not a drug-like molecule.
| MolName | [(E)-[amino-[4-(3,5-dichloropyridin-4-yl)oxyphenyl]methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate |
| MolecularFormula | C20H13N4O3Cl2F3 |
| Smiles | N/C(/c(cc1)ccc1Oc(c(Cl)cnc1)c1Cl)=N/OC(Nc1cc(C(F)(F)F)ccc1)=O |
| InChI | InChI=1S/C20H13Cl2F3N4O3/c21-15-9-27-10-16(22)17(15)31-14-6-4-11(5-7-14)18(26)29-32-19(30)28-13-3-1-2-12(8-13)20(23,24)25/h1-10H,(H2,26,29)(H,28,30) |
| InChIK | WLFFZYMYONGXKQ-UHFFFAOYSA-N |
| TotalMolweight | 485.248 |
| Molweight | 485.248 |
| MonoisotopicMass | 484.031679 |
| CLogP | 5.521 |
| CLogS | -7.804 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 332.54 |
| Relative PSA | 0.24734 |
| PolarSurfaceArea | 98.83 |
| Druglikeness | -12.836 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino-[4-(3,5-dichloropyridin-4-yl)oxyphenyl]methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate | 2 - [(E)-[amino-[4-(3,5-dichloropyridin-4-yl)oxyphenyl]methylidene]amino] N-[3-(trifluoromethyl)phenyl]carbamate
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