2-[(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-[(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-[(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | 6173-0084 |
| Compound Name: | 2-[(5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 448.03 |
| Molecular Formula: | C20 H18 Cl N3 O S3 |
| Smiles: | C1CN(Cc2ccccc12)C(CSc1nnc(SCc2ccc(cc2)[Cl])s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0772 |
| logD: | 5.0772 |
| logSw: | -5.3329 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.976 |
| InChI Key: | DLHDQXHHULDOCF-UHFFFAOYSA-N |