2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-5-(4-methylbenzene-1-sulfonyl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-5-(4-methylbenzene-1-sulfonyl)pyrimidin-4(3H)-one
2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-5-(4-methylbenzene-1-sulfonyl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C716-0097 |
| Compound Name: | 2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-5-(4-methylbenzene-1-sulfonyl)pyrimidin-4(3H)-one |
| Molecular Weight: | 455.55 |
| Molecular Formula: | C22 H21 N3 O4 S2 |
| Smiles: | Cc1ccc(cc1)S(C1=CN=C(NC1=O)SCC(N1CCCc2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8759 |
| logD: | 1.2342 |
| logSw: | -3.6019 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.048 |
| InChI Key: | SVHFKLVMXUWVNS-UHFFFAOYSA-N |