2-{[(4-bromophenyl)methyl]sulfanyl}-7-tert-butyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]sulfanyl}-7-tert-butyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(4-bromophenyl)methyl]sulfanyl}-7-tert-butyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4333-3606 |
| Compound Name: | 2-{[(4-bromophenyl)methyl]sulfanyl}-7-tert-butyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 569.58 |
| Molecular Formula: | C28 H29 Br N2 O2 S2 |
| Smiles: | CC(C)(C)C1CCc2c3C(N(C(=Nc3sc2C1)SCc1ccc(cc1)[Br])c1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.7204 |
| logD: | 7.7204 |
| logSw: | -5.8225 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.526 |
| InChI Key: | BPFJJBYJBCMEAS-GOSISDBHSA-N |