2-phenothiazin-10-yl-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide
Formula:C28H21N5OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-phenothiazin-10-yl-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-phenothiazin-10-yl-N-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]acetamide |
| MolecularFormula | C28H21N5OS2 |
| Smiles | O=C(CN1c(cccc2)c2Sc2c1cccc2)N/N=C\c1cn(-c2ccccc2)nc1-c1cccs1 |
| InChI | InChI=1S/C28H21N5OS2/c34-27(19-32-22-11-4-6-13-24(22)36-25-14-7-5-12-23(25)32)30-29-17-20-18-33(21-9-2-1-3-10-21)31-28(20)26-15-8-16-35-26/h1-18H,19H2,(H,30,34) |
| InChIK | YRLKPRMMQQOLQC-UHFFFAOYSA-N |
| TotalMolweight | 507.641 |
| Molweight | 507.641 |
| MonoisotopicMass | 507.11875 |
| CLogP | 5.9761 |
| CLogS | -7.673 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 378.22 |
| Relative PSA | 0.25184 |
| PolarSurfaceArea | 116.06 |
| Druglikeness | 8.3295 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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