ethyl N-[(Z)-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)methylideneamino]carbamate
Formula:C17H16N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
ethyl N-[(Z)-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)methylideneamino]carbamate is a drug-like molecule.
| MolName | ethyl N-[(Z)-(3-phenyl-1-thiophen-2-ylpyrazol-4-yl)methylideneamino]carbamate |
| MolecularFormula | C17H16N4O2S |
| Smiles | CCOC(N/N=C\c1cn(-c2cccs2)nc1-c1ccccc1)=O |
| InChI | InChI=1S/C17H16N4O2S/c1-2-23-17(22)19-18-11-14-12-21(15-9-6-10-24-15)20-16(14)13-7-4-3-5-8-13/h3-12H,2H2,1H3,(H,19,22) |
| InChIK | GURNSNLMSUGODW-UHFFFAOYSA-N |
| TotalMolweight | 340.406 |
| Molweight | 340.406 |
| MonoisotopicMass | 340.099396 |
| CLogP | 3.4218 |
| CLogS | -5.281 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 266.67 |
| Relative PSA | 0.31578 |
| PolarSurfaceArea | 96.75 |
| Druglikeness | 0.38795 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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