6-({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
6-({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C612-1326 |
| Compound Name: | 6-({5-[(azepan-1-yl)methyl]furan-2-yl}methyl)-1,3-dimethyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 387.48 |
| Molecular Formula: | C20 H29 N5 O3 |
| Smiles: | CN1C2=C(CN(Cc3ccc(CN4CCCCCC4)o3)CN2)C(N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8876 |
| logD: | -0.2803 |
| logSw: | -2.4447 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.281 |
| InChI Key: | HPFXSGSINBAEMJ-UHFFFAOYSA-N |