2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-5-benzylpyrimidine-4,6(1H,5H)-dione
Chemical Structure Depiction of
2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-5-benzylpyrimidine-4,6(1H,5H)-dione
2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-5-benzylpyrimidine-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | 8017-1619 |
| Compound Name: | 2-({2-[4-(adamantan-1-yl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-5-benzylpyrimidine-4,6(1H,5H)-dione |
| Molecular Weight: | 494.66 |
| Molecular Formula: | C27 H34 N4 O3 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)N1CCN(CC1)C(CSC1NC(C(Cc2ccccc2)C(N=1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.486 |
| logD: | -2.9137 |
| logSw: | -3.6855 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.368 |
| InChI Key: | SMXLXDCIEKIMTA-UHFFFAOYSA-N |