2-{[(4-bromophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
2-{[(4-bromophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | 3379-1870 |
| Compound Name: | 2-{[(4-bromophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 499.45 |
| Molecular Formula: | C23 H19 Br N2 O2 S2 |
| Smiles: | COc1ccc(cc1)N1C(=Nc2c(C1=O)c1CCCc1s2)SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.7529 |
| logD: | 5.7529 |
| logSw: | -5.4981 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.892 |
| InChI Key: | HPCVLXIMOHFRMB-UHFFFAOYSA-N |