N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Chemical Structure Depiction of
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide
Compound characteristics
| Compound ID: | G777-0272 |
| Compound Name: | N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxamide |
| Molecular Weight: | 458.02 |
| Molecular Formula: | C24 H28 Cl N3 O2 S |
| Smiles: | Cc1ccc(cc1N1CCN(CCCNC(c2cccc3C(CCSc23)=O)=O)CC1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.2032 |
| logD: | 3.0566 |
| logSw: | -4.4649 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.604 |
| InChI Key: | YWVPZOVVMPOOJO-UHFFFAOYSA-N |