N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-phenothiazin-10-ylacetamide
Formula:C21H15N3OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-phenothiazin-10-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-phenothiazin-10-ylacetamide |
| MolecularFormula | C21H15N3OCl2S |
| Smiles | O=C(CN1c(cccc2)c2Sc2c1cccc2)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C21H15Cl2N3OS/c22-15-10-9-14(16(23)11-15)12-24-25-21(27)13-26-17-5-1-3-7-19(17)28-20-8-4-2-6-18(20)26/h1-12H,13H2,(H,25,27) |
| InChIK | QCSMDDBGOCBVTG-UHFFFAOYSA-N |
| TotalMolweight | 428.342 |
| Molweight | 428.342 |
| MonoisotopicMass | 427.031286 |
| CLogP | 6.2456 |
| CLogS | -7.711 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 305.64 |
| Relative PSA | 0.18666 |
| PolarSurfaceArea | 70 |
| Druglikeness | 6.2317 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-phenothiazin-10-ylacetamide | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-phenothiazin-10-ylacetamide
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