1,3-dimethyl-6-({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1,3-dimethyl-6-({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
1,3-dimethyl-6-({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C612-1308 |
| Compound Name: | 1,3-dimethyl-6-({1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl}methyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 403.55 |
| Molecular Formula: | C20 H29 N5 O2 S |
| Smiles: | CN1C2=C(CN(CC3CCN(CC3)CCc3cccs3)CN2)C(N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1125 |
| logD: | 0.1794 |
| logSw: | -2.6297 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.935 |
| InChI Key: | JLZNJONHFBCZOA-UHFFFAOYSA-N |