1-benzyl-3-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]thiourea
Formula:C29H24N4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-benzyl-3-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]thiourea is not a drug-like molecule.
| MolName | 1-benzyl-3-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]thiourea |
| MolecularFormula | C29H24N4S |
| Smiles | S=C(NCc1ccccc1)N/N=C\c(c1c2cccc1)c(-c1ccccc1)n2-c1ccccc1 |
| InChI | InChI=1S/C29H24N4S/c34-29(30-20-22-12-4-1-5-13-22)32-31-21-26-25-18-10-11-19-27(25)33(24-16-8-3-9-17-24)28(26)23-14-6-2-7-15-23/h1-19,21H,20H2,(H2,30,32,34) |
| InChIK | CYYJDIDLSPECCJ-UHFFFAOYSA-N |
| TotalMolweight | 460.604 |
| Molweight | 460.604 |
| MonoisotopicMass | 460.172166 |
| CLogP | 6.5536 |
| CLogS | -9.729 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 370.49 |
| Relative PSA | 0.18705 |
| PolarSurfaceArea | 73.44 |
| Druglikeness | 4.0725 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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