N-[3-(4-benzylpiperazin-1-yl)propyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | G777-0180 |
| Compound Name: | N-[3-(4-benzylpiperazin-1-yl)propyl]-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 423.58 |
| Molecular Formula: | C24 H29 N3 O2 S |
| Smiles: | C(CNC(c1cccc2C(CCSc12)=O)=O)CN1CCN(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6016 |
| logD: | 1.8307 |
| logSw: | -3.3644 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.185 |
| InChI Key: | IRFYRNZITXMWPM-UHFFFAOYSA-N |