N-[3-(1H-imidazol-1-yl)propyl]-1-oxo-1H-2-benzothiopyran-3-carboxamide
Chemical Structure Depiction of
N-[3-(1H-imidazol-1-yl)propyl]-1-oxo-1H-2-benzothiopyran-3-carboxamide
N-[3-(1H-imidazol-1-yl)propyl]-1-oxo-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | IB07-8681 |
| Compound Name: | N-[3-(1H-imidazol-1-yl)propyl]-1-oxo-1H-2-benzothiopyran-3-carboxamide |
| Molecular Weight: | 313.38 |
| Molecular Formula: | C16 H15 N3 O2 S |
| Smiles: | C(CNC(C1=Cc2ccccc2C(=O)S1)=O)Cn1ccnc1 |
| Stereo: | ACHIRAL |
| logP: | 1.53 |
| logD: | 1.33 |
| logSw: | -2.36 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 128.32 |
| InChI Key: | VSZVFTHWHAMIKJ-UHFFFAOYSA-N |