2-{[(4-bromophenyl)methyl]sulfanyl}-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]sulfanyl}-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
2-{[(4-bromophenyl)methyl]sulfanyl}-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Compound characteristics
Compound ID: | 4333-3631 |
Compound Name: | 2-{[(4-bromophenyl)methyl]sulfanyl}-7-tert-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine |
Molecular Weight: | 462.47 |
Molecular Formula: | C21 H24 Br N3 S2 |
Smiles: | CC(C)(C)C1CCc2c3c(N)nc(nc3sc2C1)SCc1ccc(cc1)[Br] |
Stereo: | RACEMIC MIXTURE |
logP: | 6.9562 |
logD: | 6.9561 |
logSw: | -6.1696 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 38.982 |
InChI Key: | ONNTWRCGNQPMGD-CYBMUJFWSA-N |