[(E)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] N-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]carbamate
Formula:C18H11N4O2Cl2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] N-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]carbamate is not a drug-like molecule.
| MolName | [(E)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] N-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]carbamate |
| MolecularFormula | C18H11N4O2Cl2F3S |
| Smiles | N/C(/c1ccc(C(F)(F)F)cc1)=N/OC(Nc1csc(-c2cccc(Cl)c2Cl)n1)=O |
| InChI | InChI=1S/C18H11Cl2F3N4O2S/c19-12-3-1-2-11(14(12)20)16-25-13(8-30-16)26-17(28)29-27-15(24)9-4-6-10(7-5-9)18(21,22)23/h1-8H,(H2,24,27)(H,26,28) |
| InChIK | PZZRRPOXVPCOKP-UHFFFAOYSA-N |
| TotalMolweight | 475.277 |
| Molweight | 475.277 |
| MonoisotopicMass | 473.993184 |
| CLogP | 6.1328 |
| CLogS | -7.154 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 318.48 |
| Relative PSA | 0.29079 |
| PolarSurfaceArea | 117.84 |
| Druglikeness | -10.897 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] N-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]carbamate | 2 - [(E)-[amino-[4-(trifluoromethyl)phenyl]methylidene]amino] N-[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]carbamate
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