6-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
6-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C612-1322 |
| Compound Name: | 6-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 417.94 |
| Molecular Formula: | C21 H28 Cl N5 O2 |
| Smiles: | CN1C2=C(CN(CC3CCN(CC3)Cc3ccc(cc3)[Cl])CN2)C(N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5371 |
| logD: | 0.9267 |
| logSw: | -3.3731 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.938 |
| InChI Key: | HUMYXGQACMSOHO-UHFFFAOYSA-N |