[(E)-[1-amino-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethylidene]amino] N-phenylcarbamate
Formula:C15H13N4O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[1-amino-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethylidene]amino] N-phenylcarbamate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethylidene]amino] N-phenylcarbamate |
| MolecularFormula | C15H13N4O2F3S |
| Smiles | N/C(/CSc1ncc(C(F)(F)F)cc1)=N/OC(Nc1ccccc1)=O |
| InChI | InChI=1S/C15H13F3N4O2S/c16-15(17,18)10-6-7-13(20-8-10)25-9-12(19)22-24-14(23)21-11-4-2-1-3-5-11/h1-8H,9H2,(H2,19,22)(H,21,23) |
| InChIK | JNKDHTZOBRRUDO-UHFFFAOYSA-N |
| TotalMolweight | 370.354 |
| Molweight | 370.354 |
| MonoisotopicMass | 370.07113 |
| CLogP | 3.2236 |
| CLogS | -4.34 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 263.19 |
| Relative PSA | 0.34097 |
| PolarSurfaceArea | 114.9 |
| Druglikeness | -12.404 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[1-amino-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethylidene]amino] N-phenylcarbamate | 2 - [(E)-[1-amino-2-[5-(trifluoromethyl)pyridin-2-yl]sulfanylethylidene]amino] N-phenylcarbamate
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