1-benzyl-2,3-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)indole-5-carboxamide
Formula:C26H23N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
1-benzyl-2,3-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)indole-5-carboxamide is not a drug-like molecule.
| MolName | 1-benzyl-2,3-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)indole-5-carboxamide |
| MolecularFormula | C26H23N3OS |
| Smiles | Cc1c(C)n(Cc2ccccc2)c(cc2)c1cc2C(Nc1nc(ccc(C)c2)c2s1)=O |
| InChI | InChI=1S/C26H23N3OS/c1-16-9-11-22-24(13-16)31-26(27-22)28-25(30)20-10-12-23-21(14-20)17(2)18(3)29(23)15-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3,(H,27,28,30) |
| InChIK | UOOMWUMXFYRZJW-UHFFFAOYSA-N |
| TotalMolweight | 425.555 |
| Molweight | 425.555 |
| MonoisotopicMass | 425.156182 |
| CLogP | 6.2249 |
| CLogS | -6.129 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 325.63 |
| Relative PSA | 0.19255 |
| PolarSurfaceArea | 75.16 |
| Druglikeness | 1.6145 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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