3-(3-chlorophenyl)-7-(3,3-dimethyl-2-oxobutyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-7-(3,3-dimethyl-2-oxobutyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(3-chlorophenyl)-7-(3,3-dimethyl-2-oxobutyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V011-7080 |
| Compound Name: | 3-(3-chlorophenyl)-7-(3,3-dimethyl-2-oxobutyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 400.86 |
| Molecular Formula: | C20 H21 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | CC(C)(C)C(Cn1cnc2c1C(N(CC=C)C(N2c1cccc(c1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9452 |
| logD: | 2.9452 |
| logSw: | -3.248 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.043 |
| InChI Key: | REORTWPRSMZFAH-UHFFFAOYSA-N |