N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)adamantane-1-carboxamide
N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | 8755-0351 |
| Compound Name: | N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)adamantane-1-carboxamide |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C22 H27 N3 O2 S |
| Smiles: | CC1=Nc2c(C(N1NC(C13CC4CC(CC(C4)C3)C1)=O)=O)c1CCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 4.3577 |
| logD: | 4.357 |
| logSw: | -4.3012 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.643 |
| InChI Key: | DPCUNQINHSNVOC-UHFFFAOYSA-N |