6-{[(4-chlorophenyl)sulfanyl]methyl}-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-{[(4-chlorophenyl)sulfanyl]methyl}-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-4(3H)-one
6-{[(4-chlorophenyl)sulfanyl]methyl}-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-1186 |
| Compound Name: | 6-{[(4-chlorophenyl)sulfanyl]methyl}-2-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-4(3H)-one |
| Molecular Weight: | 383.9 |
| Molecular Formula: | C20 H18 Cl N3 O S |
| Smiles: | C1CN(Cc2ccccc12)C1NC(C=C(CSc2ccc(cc2)[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4701 |
| logD: | 4.4262 |
| logSw: | -4.693 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.753 |
| InChI Key: | NCZDFUQSUVCPPK-UHFFFAOYSA-N |