N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | E722-2678 |
| Compound Name: | N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-6,7,8,9-tetrahydro-1H-thiopyrano[4,3-b][1]benzothiophene-3-carboxamide |
| Molecular Weight: | 488.11 |
| Molecular Formula: | C25 H30 Cl N3 O S2 |
| Smiles: | Cc1ccc(cc1N1CCN(CCNC(C2=Cc3c(CS2)c2CCCCc2s3)=O)CC1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.856 |
| logD: | 5.5852 |
| logSw: | -5.8876 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.295 |
| InChI Key: | JWYFRMWUHMOISJ-UHFFFAOYSA-N |