6-(azepane-1-carbonyl)-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methylthieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-(azepane-1-carbonyl)-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methylthieno[2,3-d]pyrimidin-4(3H)-one
6-(azepane-1-carbonyl)-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methylthieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K895-0044 |
| Compound Name: | 6-(azepane-1-carbonyl)-3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-methylthieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 444.6 |
| Molecular Formula: | C23 H32 N4 O3 S |
| Smiles: | CC1CC(C)CN(C1)C(CN1C=Nc2c(C1=O)c(C)c(C(N1CCCCCC1)=O)s2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9475 |
| logD: | 2.9475 |
| logSw: | -3.07 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.48 |
| InChI Key: | KTXPFPYPWXTNFL-UHFFFAOYSA-N |