7-[2-(3-methoxyphenyl)-2-oxoethyl]-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-(3-methoxyphenyl)-2-oxoethyl]-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[2-(3-methoxyphenyl)-2-oxoethyl]-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V016-6917 |
| Compound Name: | 7-[2-(3-methoxyphenyl)-2-oxoethyl]-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C26 H26 N4 O4 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(CC=C)C(c2c1ncn2CC(c1cccc(c1)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9699 |
| logD: | 3.9699 |
| logSw: | -4.1979 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.315 |
| InChI Key: | RKGJULQEILTUDM-UHFFFAOYSA-N |