N-[(furan-2-yl)methyl]-4-({1-[(4-methylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-4-({1-[(4-methylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)cyclohexane-1-carboxamide
N-[(furan-2-yl)methyl]-4-({1-[(4-methylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | G346-0221 |
| Compound Name: | N-[(furan-2-yl)methyl]-4-({1-[(4-methylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C27 H29 N3 O4 S |
| Smiles: | Cc1ccc(CN2C(N(CC3CCC(CC3)C(NCc3ccco3)=O)C(c3c2ccs3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5399 |
| logD: | 5.5399 |
| logSw: | -5.3542 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.639 |
| InChI Key: | ZELVQDXHAKNLPG-UHFFFAOYSA-N |