8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-7-hexyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-7-hexyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-7-hexyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | C470-0691 |
Compound Name: | 8-{[4-(diphenylmethyl)piperazin-1-yl]methyl}-7-hexyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 528.7 |
Molecular Formula: | C31 H40 N6 O2 |
Smiles: | CCCCCCn1c2C(N(C)C(N(C)c2nc1CN1CCN(CC1)C(c1ccccc1)c1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.853 |
logD: | 5.8161 |
logSw: | -5.3981 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 50.224 |
InChI Key: | MXEVATNCXTYQKT-UHFFFAOYSA-N |