1-(3-methylbutyl)-3-(4-methylphenyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-(3-methylbutyl)-3-(4-methylphenyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
1-(3-methylbutyl)-3-(4-methylphenyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V013-5530 |
| Compound Name: | 1-(3-methylbutyl)-3-(4-methylphenyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 352.43 |
| Molecular Formula: | C20 H24 N4 O2 |
| Smiles: | CC(C)CCN1C(c2c(ncn2CC=C)N(C1=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4305 |
| logD: | 3.4305 |
| logSw: | -3.3581 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.774 |
| InChI Key: | VUCOMKOFJDABGG-UHFFFAOYSA-N |