2-[(3-methylbutyl)sulfanyl]-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-[(3-methylbutyl)sulfanyl]-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
2-[(3-methylbutyl)sulfanyl]-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3807-0890 |
| Compound Name: | 2-[(3-methylbutyl)sulfanyl]-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 412.62 |
| Molecular Formula: | C23 H28 N2 O S2 |
| Smiles: | CC(C)CCSC1=Nc2c(C(N1c1ccc(C)cc1)=O)c1CCCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 6.6395 |
| logD: | 6.6395 |
| logSw: | -5.5739 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.585 |
| InChI Key: | HVNKVQUZGIABNK-UHFFFAOYSA-N |