9-(2H-1,3-benzodioxol-5-yl)-7-methyl-8-oxo-2-[4-(propan-2-yl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide
Chemical Structure Depiction of
9-(2H-1,3-benzodioxol-5-yl)-7-methyl-8-oxo-2-[4-(propan-2-yl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide
9-(2H-1,3-benzodioxol-5-yl)-7-methyl-8-oxo-2-[4-(propan-2-yl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide
Compound characteristics
| Compound ID: | G656-0430 |
| Compound Name: | 9-(2H-1,3-benzodioxol-5-yl)-7-methyl-8-oxo-2-[4-(propan-2-yl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C23 H21 N5 O4 |
| Smiles: | CC(C)c1ccc(cc1)c1nc(C(N)=O)c2c(n1)N(C(N2C)=O)c1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.6123 |
| logD: | 4.6123 |
| logSw: | -4.589 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.959 |
| InChI Key: | ZZBVUUWUSNMFAP-UHFFFAOYSA-N |