1-[(Z)-(1-benzylindol-3-yl)methylideneamino]-3-phenylthiourea
Formula:C23H20N4S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-(1-benzylindol-3-yl)methylideneamino]-3-phenylthiourea is not a drug-like molecule.
| MolName | 1-[(Z)-(1-benzylindol-3-yl)methylideneamino]-3-phenylthiourea |
| MolecularFormula | C23H20N4S |
| Smiles | S=C(Nc1ccccc1)N/N=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C23H20N4S/c28-23(25-20-11-5-2-6-12-20)26-24-15-19-17-27(16-18-9-3-1-4-10-18)22-14-8-7-13-21(19)22/h1-15,17H,16H2,(H2,25,26,28) |
| InChIK | FKFUCYFLFGLJSM-UHFFFAOYSA-N |
| TotalMolweight | 384.506 |
| Molweight | 384.506 |
| MonoisotopicMass | 384.140866 |
| CLogP | 5.1219 |
| CLogS | -5.299 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 310.73 |
| Relative PSA | 0.22302 |
| PolarSurfaceArea | 73.44 |
| Druglikeness | 4.2746 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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