3-benzyl-2-{[(4-bromophenyl)methyl]sulfanyl}-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-benzyl-2-{[(4-bromophenyl)methyl]sulfanyl}-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-benzyl-2-{[(4-bromophenyl)methyl]sulfanyl}-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4333-3611 |
| Compound Name: | 3-benzyl-2-{[(4-bromophenyl)methyl]sulfanyl}-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 553.58 |
| Molecular Formula: | C28 H29 Br N2 O S2 |
| Smiles: | CC(C)(C)C1CCc2c3C(N(Cc4ccccc4)C(=Nc3sc2C1)SCc1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.2115 |
| logD: | 8.2115 |
| logSw: | -5.7848 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.5939 |
| InChI Key: | FKZGNRXNVLBSRB-HXUWFJFHSA-N |