3-[2-(azepan-1-yl)-2-oxoethyl]-7-(4-chlorophenyl)-1-methylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[2-(azepan-1-yl)-2-oxoethyl]-7-(4-chlorophenyl)-1-methylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
3-[2-(azepan-1-yl)-2-oxoethyl]-7-(4-chlorophenyl)-1-methylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | L558-0498 |
| Compound Name: | 3-[2-(azepan-1-yl)-2-oxoethyl]-7-(4-chlorophenyl)-1-methylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 427.89 |
| Molecular Formula: | C21 H22 Cl N5 O3 |
| Smiles: | CN1C(N(CC(N2CCCCCC2)=O)C(c2cnc(c3ccc(cc3)[Cl])nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2091 |
| logD: | 3.2091 |
| logSw: | -3.6621 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.132 |
| InChI Key: | VDBCIMRSBISMJI-UHFFFAOYSA-N |