3-[2-(azepan-1-yl)-2-oxoethyl]-5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[2-(azepan-1-yl)-2-oxoethyl]-5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
3-[2-(azepan-1-yl)-2-oxoethyl]-5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C096-0044 |
| Compound Name: | 3-[2-(azepan-1-yl)-2-oxoethyl]-5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methylthieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 559.71 |
| Molecular Formula: | C26 H33 N5 O5 S2 |
| Smiles: | Cc1c(c2C(N(CC(N3CCCCCC3)=O)C=Nc2s1)=O)S(N1CCN(CC1)c1ccccc1OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3661 |
| logD: | 2.3661 |
| logSw: | -2.5687 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.266 |
| InChI Key: | ZSJTVCBMYVHFKK-UHFFFAOYSA-N |