N-[(4-chlorophenyl)methyl]-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
N-[(4-chlorophenyl)methyl]-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | M459-6616 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 424.95 |
| Molecular Formula: | C22 H21 Cl N4 O S |
| Smiles: | C1CN(Cc2ccccc12)c1ccnc(n1)SCC(NCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8477 |
| logD: | 4.8474 |
| logSw: | -4.999 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.742 |
| InChI Key: | HBIAIKVDLOSEDC-UHFFFAOYSA-N |