(3Z)-1-benzyl-3-(4H-[1,2,4]thiadiazolo[4,3-a]indol-1-ylidene)urea
Formula:C17H14N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-1-benzyl-3-(4H-[1,2,4]thiadiazolo[4,3-a]indol-1-ylidene)urea is a drug-like molecule.
| MolName | (3Z)-1-benzyl-3-(4H-[1,2,4]thiadiazolo[4,3-a]indol-1-ylidene)urea |
| MolecularFormula | C17H14N4OS |
| Smiles | O=C(NCc1ccccc1)/N=C1\SN=C(C2)N1c1c2cccc1 |
| InChI | InChI=1S/C17H14N4OS/c22-16(18-11-12-6-2-1-3-7-12)19-17-21-14-9-5-4-8-13(14)10-15(21)20-23-17/h1-9H,10-11H2,(H,18,22) |
| InChIK | CUNKNPYDUCBPFD-UHFFFAOYSA-N |
| TotalMolweight | 322.391 |
| Molweight | 322.391 |
| MonoisotopicMass | 322.088831 |
| CLogP | 3.3041 |
| CLogS | -5.928 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 236.48 |
| Relative PSA | 0.28992 |
| PolarSurfaceArea | 82.36 |
| Druglikeness | 2.6227 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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