3-(3-methylphenyl)-1-(propan-2-yl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(3-methylphenyl)-1-(propan-2-yl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(3-methylphenyl)-1-(propan-2-yl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V012-7642 |
| Compound Name: | 3-(3-methylphenyl)-1-(propan-2-yl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 324.38 |
| Molecular Formula: | C18 H20 N4 O2 |
| Salt: | not_available |
| Smiles: | CC(C)N1C(c2c(ncn2CC=C)N(C1=O)c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5589 |
| logD: | 2.5589 |
| logSw: | -2.5714 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.517 |
| InChI Key: | SXVFCPVARGKMNI-UHFFFAOYSA-N |