2-(4-chlorophenoxy)-N-[(Z)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide
Formula:C27H19N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-(4-chlorophenoxy)-N-[(Z)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-chlorophenoxy)-N-[(Z)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide |
| MolecularFormula | C27H19N4O4Cl |
| Smiles | O=C(COc(cc1)ccc1Cl)N/N=C\c1cn(-c2ccccc2)nc1C1=Cc(cccc2)c2OC1=O |
| InChI | InChI=1S/C27H19ClN4O4/c28-20-10-12-22(13-11-20)35-17-25(33)30-29-15-19-16-32(21-7-2-1-3-8-21)31-26(19)23-14-18-6-4-5-9-24(18)36-27(23)34/h1-16H,17H2,(H,30,33) |
| InChIK | GBBBQLMOMOSTAH-UHFFFAOYSA-N |
| TotalMolweight | 498.925 |
| Molweight | 498.925 |
| MonoisotopicMass | 498.109483 |
| CLogP | 3.6983 |
| CLogS | -5.707 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 372.61 |
| Relative PSA | 0.23319 |
| PolarSurfaceArea | 94.81 |
| Druglikeness | 6.0486 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-(4-chlorophenoxy)-N-[(Z)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide | 2 - 2-(4-chlorophenoxy)-N-[(Z)-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]acetamide
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