1-(3,4-dihydroquinolin-1(2H)-yl)-2-({5-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-({5-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl}sulfanyl)ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-({5-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | G621-0412 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-({5-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C23 H25 N3 O3 S |
| Smiles: | COc1ccc(Cn2c(CO)cnc2SCC(N2CCCc3ccccc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4485 |
| logD: | 3.448 |
| logSw: | -3.507 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.96 |
| InChI Key: | RWHXJMJIHCVBIP-UHFFFAOYSA-N |