3-[2-(azepan-1-yl)-2-oxoethyl]-7-(4-methoxyphenyl)-1-methylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[2-(azepan-1-yl)-2-oxoethyl]-7-(4-methoxyphenyl)-1-methylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
3-[2-(azepan-1-yl)-2-oxoethyl]-7-(4-methoxyphenyl)-1-methylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | L558-0171 |
| Compound Name: | 3-[2-(azepan-1-yl)-2-oxoethyl]-7-(4-methoxyphenyl)-1-methylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C22 H25 N5 O4 |
| Smiles: | CN1C(N(CC(N2CCCCCC2)=O)C(c2cnc(c3ccc(cc3)OC)nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5968 |
| logD: | 2.5968 |
| logSw: | -2.771 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.676 |
| InChI Key: | MKNVTFUEMMYBQJ-UHFFFAOYSA-N |