1-ethyl-3-(3-methylphenyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-ethyl-3-(3-methylphenyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
1-ethyl-3-(3-methylphenyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-6049 |
| Compound Name: | 1-ethyl-3-(3-methylphenyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 310.35 |
| Molecular Formula: | C17 H18 N4 O2 |
| Salt: | not_available |
| Smiles: | CCN1C(c2c(ncn2CC=C)N(C1=O)c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2008 |
| logD: | 2.2008 |
| logSw: | -2.3656 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.521 |
| InChI Key: | QMJLJVXKHRZFGL-UHFFFAOYSA-N |