3-(3-chlorophenyl)-7-[(3-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-7-[(3-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(3-chlorophenyl)-7-[(3-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-0860 |
| Compound Name: | 3-(3-chlorophenyl)-7-[(3-methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 422.87 |
| Molecular Formula: | C22 H19 Cl N4 O3 |
| Salt: | not_available |
| Smiles: | COc1cccc(Cn2cnc3c2C(N(CC=C)C(N3c2cccc(c2)[Cl])=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.5297 |
| logD: | 3.5297 |
| logSw: | -3.6313 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.068 |
| InChI Key: | KLHBSOJQIZFCDC-UHFFFAOYSA-N |