N-(2,3-dimethylcyclohexyl)-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-(2,3-dimethylcyclohexyl)-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
N-(2,3-dimethylcyclohexyl)-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Compound characteristics
| Compound ID: | C096-0058 |
| Compound Name: | N-(2,3-dimethylcyclohexyl)-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide |
| Molecular Weight: | 587.76 |
| Molecular Formula: | C28 H37 N5 O5 S2 |
| Smiles: | CC1CCCC(C1C)NC(CN1C=Nc2c(C1=O)c(c(C)s2)S(N1CCN(CC1)c1ccccc1OC)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8614 |
| logD: | 2.8613 |
| logSw: | -3.7109 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.129 |
| InChI Key: | BNWWNJOUZMXGGH-UHFFFAOYSA-N |