3-(3-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(3-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-0842 |
| Compound Name: | 3-(3-chlorophenyl)-1-[(3-methoxyphenyl)methyl]-7-(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(CN2C(c3c(ncn3CC=C)N(C2=O)c2cccc(c2)[Cl])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.6703 |
| logD: | 3.6703 |
| logSw: | -3.8743 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.068 |
| InChI Key: | FCELULZHVZRZFT-UHFFFAOYSA-N |