7-[(3-nitrophenyl)methyl]-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-[(3-nitrophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(3-nitrophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V028-9398 |
| Compound Name: | 7-[(3-nitrophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 445.48 |
| Molecular Formula: | C24 H23 N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(CC=C)C(c2c1ncn2Cc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0352 |
| logD: | 4.0352 |
| logSw: | -4.0963 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.906 |
| InChI Key: | HGVLZDUOWWOKJM-UHFFFAOYSA-N |