N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-phenothiazin-10-ylacetamide
Formula:C30H22N5OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-phenothiazin-10-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-phenothiazin-10-ylacetamide |
| MolecularFormula | C30H22N5OClS |
| Smiles | O=C(CN1c(cccc2)c2Sc2c1cccc2)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl |
| InChI | InChI=1S/C30H22ClN5OS/c31-23-16-14-21(15-17-23)30-22(19-36(34-30)24-8-2-1-3-9-24)18-32-33-29(37)20-35-25-10-4-6-12-27(25)38-28-13-7-5-11-26(28)35/h1-19H,20H2,(H,33,37) |
| InChIK | AGFHZKJSDFIICJ-UHFFFAOYSA-N |
| TotalMolweight | 536.058 |
| Molweight | 536.058 |
| MonoisotopicMass | 535.123357 |
| CLogP | 6.5586 |
| CLogS | -8.488 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 397.7 |
| Relative PSA | 0.18831 |
| PolarSurfaceArea | 87.82 |
| Druglikeness | 7.3002 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.44737 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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