N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | F236-0305 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C19 H21 N5 O4 S |
| Smiles: | COc1ccc(CCNC(CN2C=Nc3c(cnc(n3)SC)C2=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.6367 |
| logD: | 0.6367 |
| logSw: | -2.4715 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.303 |
| InChI Key: | UMKXFBUBJFCXRF-UHFFFAOYSA-N |