2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methylpyrimidin-4(3H)-one
2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8017-1967 |
| Compound Name: | 2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-6-methylpyrimidin-4(3H)-one |
| Molecular Weight: | 402.56 |
| Molecular Formula: | C21 H30 N4 O2 S |
| Smiles: | CC1=CC(NC(=N1)SCC(N1CCN(CC1)C12CC3CC(CC(C3)C2)C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5583 |
| logD: | 1.8364 |
| logSw: | -2.6889 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.645 |
| InChI Key: | RMHSRQZDQRDHNA-UHFFFAOYSA-N |