N-[(1RS)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-oxo-1H-2-benzothiopyran-3-carboxamide
Chemical Structure Depiction of
N-[(1RS)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-oxo-1H-2-benzothiopyran-3-carboxamide
N-[(1RS)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-oxo-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | Y043-8274 |
| Compound Name: | N-[(1RS)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-oxo-1H-2-benzothiopyran-3-carboxamide |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C22 H21 N3 O2 S |
| Smiles: | CC[C@H](C)[C@@H](c1nc2ccccc2[nH]1)NC(C1=Cc2ccccc2C(=O)S1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.514 |
| logD: | 4.5139 |
| logSw: | -4.3474 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.288 |
| InChI Key: | IDMKBFVNIZCOMT-DJJJIMSYSA-N |