N-methyl-4-({1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-methyl-4-({1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)cyclohexane-1-carboxamide
N-methyl-4-({1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | G346-0212 |
| Compound Name: | N-methyl-4-({1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C25 H27 N5 O4 S |
| Smiles: | CC1=CC=CC2=NC(CN3C(N(CC4CCC(CC4)C(NC)=O)C(c4c3ccs4)=O)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4921 |
| logD: | 2.4921 |
| logSw: | -2.6192 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.964 |
| InChI Key: | VWPXMHIWRVUEDE-UHFFFAOYSA-N |