3-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1-methyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1-methyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
3-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1-methyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | L559-0555 |
| Compound Name: | 3-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1-methyl-7-(thiophen-2-yl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 491.52 |
| Molecular Formula: | C24 H21 N5 O5 S |
| Smiles: | Cc1c(CN2C(c3cnc(c4cccs4)nc3N(C)C2=O)=O)nc(c2ccc(c(c2)OC)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.4556 |
| logD: | 3.4556 |
| logSw: | -3.5948 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.81 |
| InChI Key: | HZHBCURUPKQKRQ-UHFFFAOYSA-N |