2-{[(4-bromophenyl)methyl]sulfanyl}-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]sulfanyl}-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
2-{[(4-bromophenyl)methyl]sulfanyl}-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 4333-3522 |
| Compound Name: | 2-{[(4-bromophenyl)methyl]sulfanyl}-3-(4-methylphenyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 511.5 |
| Molecular Formula: | C25 H23 Br N2 O S2 |
| Smiles: | Cc1ccc(cc1)N1C(=Nc2c(C1=O)c1CCCCCc1s2)SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.1001 |
| logD: | 7.1001 |
| logSw: | -5.6183 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 25.3134 |
| InChI Key: | MOIWURFEDBTJBD-UHFFFAOYSA-N |