3-(3-chlorophenyl)-1-(2-methylpropyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-1-(2-methylpropyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(3-chlorophenyl)-1-(2-methylpropyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-6279 |
| Compound Name: | 3-(3-chlorophenyl)-1-(2-methylpropyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 358.83 |
| Molecular Formula: | C18 H19 Cl N4 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(c2c(ncn2CC=C)N(C1=O)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2523 |
| logD: | 3.2523 |
| logSw: | -3.3167 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.796 |
| InChI Key: | XAIAYFCLBRSKPO-UHFFFAOYSA-N |