7-[2-(adamantan-1-yl)-2-oxoethyl]-8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-(adamantan-1-yl)-2-oxoethyl]-8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[2-(adamantan-1-yl)-2-oxoethyl]-8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8010-8401 |
| Compound Name: | 7-[2-(adamantan-1-yl)-2-oxoethyl]-8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 435.32 |
| Molecular Formula: | C19 H23 Br N4 O3 |
| Smiles: | CN1C(c2c(nc(n2CC(C23CC4CC(CC(C4)C3)C2)=O)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0093 |
| logD: | 4.0093 |
| logSw: | -4.1579 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.584 |
| InChI Key: | RCTGQNOBUGGHNN-UHFFFAOYSA-N |