2-{[(4-bromophenyl)methyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine
2-{[(4-bromophenyl)methyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine
Compound characteristics
| Compound ID: | 4159-0162 |
| Compound Name: | 2-{[(4-bromophenyl)methyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine |
| Molecular Weight: | 420.39 |
| Molecular Formula: | C18 H18 Br N3 S2 |
| Smiles: | C1CCc2c3c(N)nc(nc3sc2CC1)SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.8949 |
| logD: | 5.8947 |
| logSw: | -6.0898 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.313 |
| InChI Key: | NPHGWPLZLLULEH-UHFFFAOYSA-N |