3-(4-chlorophenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
3-(4-chlorophenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 8640-0121 |
| Compound Name: | 3-(4-chlorophenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 497.03 |
| Molecular Formula: | C25 H21 Cl N2 O3 S2 |
| Smiles: | CC1(C)Cc2c3C(N(C(=Nc3sc2CO1)SCC(c1ccccc1)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4828 |
| logD: | 5.4828 |
| logSw: | -6.1503 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.926 |
| InChI Key: | ZKVQCXCXEKCRIX-UHFFFAOYSA-N |