9-(3-chlorophenyl)-8-oxo-2-[4-(propan-2-yl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide
Chemical Structure Depiction of
9-(3-chlorophenyl)-8-oxo-2-[4-(propan-2-yl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide
9-(3-chlorophenyl)-8-oxo-2-[4-(propan-2-yl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide
Compound characteristics
| Compound ID: | C926-0186 |
| Compound Name: | 9-(3-chlorophenyl)-8-oxo-2-[4-(propan-2-yl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide |
| Molecular Weight: | 407.86 |
| Molecular Formula: | C21 H18 Cl N5 O2 |
| Smiles: | CC(C)c1ccc(cc1)c1nc(C(N)=O)c2c(n1)N(C(N2)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.9245 |
| logD: | 4.6725 |
| logSw: | -5.1193 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.61 |
| InChI Key: | KHZOWTOPZFHNLG-UHFFFAOYSA-N |