2-(benzylsulfanyl)-N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]acetamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]acetamide
2-(benzylsulfanyl)-N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]acetamide
Compound characteristics
| Compound ID: | F866-0061 |
| Compound Name: | 2-(benzylsulfanyl)-N-[2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)ethyl]acetamide |
| Molecular Weight: | 404.55 |
| Molecular Formula: | C20 H24 N2 O3 S2 |
| Smiles: | C1CN(Cc2ccccc12)S(CCNC(CSCc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4883 |
| logD: | 2.4883 |
| logSw: | -2.7095 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.819 |
| InChI Key: | YBSLRPZEJGOANN-UHFFFAOYSA-N |