(3Z)-1-benzyl-3-(4-benzyl-[1,2,4]thiadiazolo[2,3-a]benzimidazol-2-ylidene)urea
Formula:C23H19N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-1-benzyl-3-(4-benzyl-[1,2,4]thiadiazolo[2,3-a]benzimidazol-2-ylidene)urea is a drug-like molecule.
| MolName | (3Z)-1-benzyl-3-(4-benzyl-[1,2,4]thiadiazolo[2,3-a]benzimidazol-2-ylidene)urea |
| MolecularFormula | C23H19N5OS |
| Smiles | O=C(NCc1ccccc1)/N=C1\SN(c(cccc2)c2N2Cc3ccccc3)C2=N1 |
| InChI | InChI=1S/C23H19N5OS/c29-21(24-15-17-9-3-1-4-10-17)25-22-26-23-27(16-18-11-5-2-6-12-18)19-13-7-8-14-20(19)28(23)30-22/h1-14H,15-16H2,(H,24,29) |
| InChIK | ORLWVXTZZCWHSG-UHFFFAOYSA-N |
| TotalMolweight | 413.504 |
| Molweight | 413.504 |
| MonoisotopicMass | 413.13103 |
| CLogP | 4.2312 |
| CLogS | -8.149 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 306.54 |
| Relative PSA | 0.23524 |
| PolarSurfaceArea | 85.6 |
| Druglikeness | 3.4866 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (3Z)-1-benzyl-3-(4-benzyl-[1,2,4]thiadiazolo[2,3-a]benzimidazol-2-ylidene)urea | 2 - (3Z)-1-benzyl-3-(4-benzyl-[1,2,4]thiadiazolo[2,3-a]benzimidazol-2-ylidene)urea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off