N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-phenothiazin-10-ylacetamide
Formula:C30H23N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-phenothiazin-10-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]-2-phenothiazin-10-ylacetamide |
| MolecularFormula | C30H23N5OS |
| Smiles | O=C(CN1c(cccc2)c2Sc2c1cccc2)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C30H23N5OS/c36-29(21-34-25-15-7-9-17-27(25)37-28-18-10-8-16-26(28)34)32-31-19-23-20-35(24-13-5-2-6-14-24)33-30(23)22-11-3-1-4-12-22/h1-20H,21H2,(H,32,36) |
| InChIK | QKSWVJFMOCJMDD-UHFFFAOYSA-N |
| TotalMolweight | 501.613 |
| Molweight | 501.613 |
| MonoisotopicMass | 501.16233 |
| CLogP | 5.9526 |
| CLogS | -7.752 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 382.28 |
| Relative PSA | 0.1959 |
| PolarSurfaceArea | 87.82 |
| Druglikeness | 7.2804 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.45946 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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