2-{[(4-bromophenyl)methyl]sulfanyl}-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]sulfanyl}-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
2-{[(4-bromophenyl)methyl]sulfanyl}-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3379-1864 |
| Compound Name: | 2-{[(4-bromophenyl)methyl]sulfanyl}-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 527.5 |
| Molecular Formula: | C25 H23 Br N2 O2 S2 |
| Smiles: | Cc1ccc(cc1)N1C(=Nc2c(C1=O)c1CC(C)(C)OCc1s2)SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 6.4477 |
| logD: | 6.4477 |
| logSw: | -5.7425 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.679 |
| InChI Key: | KKZDJBQSINIBCZ-UHFFFAOYSA-N |