3-(3-chlorophenyl)-1-(2-phenylethyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-1-(2-phenylethyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(3-chlorophenyl)-1-(2-phenylethyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-5672 |
| Compound Name: | 3-(3-chlorophenyl)-1-(2-phenylethyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 406.87 |
| Molecular Formula: | C22 H19 Cl N4 O2 |
| Salt: | not_available |
| Smiles: | C=CCn1cnc2c1C(N(CCc1ccccc1)C(N2c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7691 |
| logD: | 3.7691 |
| logSw: | -4.1068 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.503 |
| InChI Key: | JUUCWPKHDSRRJM-UHFFFAOYSA-N |