2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4(3H)-one
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-1002 |
| Compound Name: | 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 400.6 |
| Molecular Formula: | C22 H28 N2 O S2 |
| Smiles: | CC(C)CCN1C(=Nc2ccsc2C1=O)SCc1ccc(cc1)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.4823 |
| logD: | 6.4823 |
| logSw: | -5.5761 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.0393 |
| InChI Key: | ASJFAKLGBHWVNK-UHFFFAOYSA-N |