7-[(4-tert-butylphenyl)methyl]-3-(3-chlorophenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-tert-butylphenyl)methyl]-3-(3-chlorophenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(4-tert-butylphenyl)methyl]-3-(3-chlorophenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-7034 |
| Compound Name: | 7-[(4-tert-butylphenyl)methyl]-3-(3-chlorophenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 448.95 |
| Molecular Formula: | C25 H25 Cl N4 O2 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(Cn2cnc3c2C(N(CC=C)C(N3c2cccc(c2)[Cl])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2688 |
| logD: | 5.2688 |
| logSw: | -5.7683 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.524 |
| InChI Key: | TUFCKIPYWMFHRY-UHFFFAOYSA-N |