N-(2-bromo-4-methylphenyl)-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
N-(2-bromo-4-methylphenyl)-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Compound characteristics
| Compound ID: | C096-0013 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide |
| Molecular Weight: | 646.58 |
| Molecular Formula: | C27 H28 Br N5 O5 S2 |
| Smiles: | Cc1ccc(c(c1)[Br])NC(CN1C=Nc2c(C1=O)c(c(C)s2)S(N1CCN(CC1)c1ccccc1OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.702 |
| logD: | 3.7019 |
| logSw: | -4.1529 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.993 |
| InChI Key: | GDCWZPOLRIVLTR-UHFFFAOYSA-N |