N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-{5-methyl-4-[(phenylsulfanyl)methyl]-1,3-oxazol-2-yl}benzamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-{5-methyl-4-[(phenylsulfanyl)methyl]-1,3-oxazol-2-yl}benzamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-{5-methyl-4-[(phenylsulfanyl)methyl]-1,3-oxazol-2-yl}benzamide
Compound characteristics
Compound ID: | E776-0417 |
Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-4-{5-methyl-4-[(phenylsulfanyl)methyl]-1,3-oxazol-2-yl}benzamide |
Molecular Weight: | 497.66 |
Molecular Formula: | C30 H31 N3 O2 S |
Smiles: | Cc1c(CSc2ccccc2)nc(c2ccc(cc2)C(NCCCN2CCc3ccccc3C2)=O)o1 |
Stereo: | ACHIRAL |
logP: | 5.3051 |
logD: | 4.1553 |
logSw: | -5.1078 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 45.988 |
InChI Key: | JYNSCDDNPWBVRI-UHFFFAOYSA-N |