2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone
Formula:C24H23N5OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone is a drug-like molecule.
| MolName | 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone |
| MolecularFormula | C24H23N5OS2 |
| Smiles | Nc1nnc(SCC(N(C(C2CCC3)c4ccccc4)N=C2/C3=C/c2ccccc2)=O)s1 |
| InChI | InChI=1S/C24H23N5OS2/c25-23-26-27-24(32-23)31-15-20(30)29-22(17-10-5-2-6-11-17)19-13-7-12-18(21(19)28-29)14-16-8-3-1-4-9-16/h1-6,8-11,14,19,22H,7,12-13,15H2,(H2,25,26) |
| InChIK | HEPMTPXUFYLREN-UHFFFAOYSA-N |
| TotalMolweight | 461.613 |
| Molweight | 461.613 |
| MonoisotopicMass | 461.1344 |
| CLogP | 4.7297 |
| CLogS | -5.969 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 341.02 |
| Relative PSA | 0.3025 |
| PolarSurfaceArea | 138.01 |
| Druglikeness | 1.5604 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone | 2 - 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone
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