9-(3-chlorophenyl)-8-oxo-2-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-purine-6-carboxamide
Chemical Structure Depiction of
9-(3-chlorophenyl)-8-oxo-2-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-purine-6-carboxamide
9-(3-chlorophenyl)-8-oxo-2-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-purine-6-carboxamide
Compound characteristics
| Compound ID: | C926-0218 |
| Compound Name: | 9-(3-chlorophenyl)-8-oxo-2-(3,4,5-trimethoxyphenyl)-8,9-dihydro-7H-purine-6-carboxamide |
| Molecular Weight: | 455.86 |
| Molecular Formula: | C21 H18 Cl N5 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)c1nc(C(N)=O)c2c(n1)N(C(N2)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.0687 |
| logD: | 2.8167 |
| logSw: | -3.6034 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.588 |
| InChI Key: | FYJZPWVYSFBSOK-UHFFFAOYSA-N |