1-benzyl-3-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]thiourea
Formula:C24H21N4FS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-benzyl-3-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]thiourea is a drug-like molecule.
| MolName | 1-benzyl-3-[(Z)-[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]thiourea |
| MolecularFormula | C24H21N4FS |
| Smiles | Fc1c(Cn2c(cccc3)c3c(/C=N\NC(NCc3ccccc3)=S)c2)cccc1 |
| InChI | InChI=1S/C24H21FN4S/c25-22-12-6-4-10-19(22)16-29-17-20(21-11-5-7-13-23(21)29)15-27-28-24(30)26-14-18-8-2-1-3-9-18/h1-13,15,17H,14,16H2,(H2,26,28,30) |
| InChIK | XXVNUKYFMGXTEC-UHFFFAOYSA-N |
| TotalMolweight | 416.523 |
| Molweight | 416.523 |
| MonoisotopicMass | 416.147094 |
| CLogP | 4.9321 |
| CLogS | -5.429 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 330.84 |
| Relative PSA | 0.20947 |
| PolarSurfaceArea | 73.44 |
| Druglikeness | 3.0065 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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