N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-phenothiazin-10-ylacetamide
Formula:C28H21N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-phenothiazin-10-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]methylideneamino]-2-phenothiazin-10-ylacetamide |
| MolecularFormula | C28H21N5O2S |
| Smiles | O=C(CN1c(cccc2)c2Sc2c1cccc2)N/N=C\c1cn(-c2ccccc2)nc1-c1ccco1 |
| InChI | InChI=1S/C28H21N5O2S/c34-27(19-32-22-11-4-6-14-25(22)36-26-15-7-5-12-23(26)32)30-29-17-20-18-33(21-9-2-1-3-10-21)31-28(20)24-13-8-16-35-24/h1-18H,19H2,(H,30,34) |
| InChIK | GVRITRIJYWHHMO-UHFFFAOYSA-N |
| TotalMolweight | 491.574 |
| Molweight | 491.574 |
| MonoisotopicMass | 491.141595 |
| CLogP | 5.1783 |
| CLogS | -7.102 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 371.97 |
| Relative PSA | 0.23927 |
| PolarSurfaceArea | 100.96 |
| Druglikeness | 6.9982 |
| 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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