N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
Chemical Structure Depiction of
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide
Compound characteristics
| Compound ID: | E146-0974 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-4H-[1]benzothiopyrano[3,4-d][1,2]oxazole-3-carboxamide |
| Molecular Weight: | 454.98 |
| Molecular Formula: | C23 H23 Cl N4 O2 S |
| Smiles: | C(CN1CCN(CC1)c1cccc(c1)[Cl])NC(c1c2CSc3ccccc3c2on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8246 |
| logD: | 3.7738 |
| logSw: | -4.32 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.817 |
| InChI Key: | ZZWAXLSTFYUNKK-UHFFFAOYSA-N |