4-{[1-(2-amino-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[1-(2-amino-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide
4-{[1-(2-amino-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | G346-0215 |
| Compound Name: | 4-{[1-(2-amino-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C21 H24 N4 O5 S |
| Smiles: | C1CC(CCC1CN1C(c2c(ccs2)N(CC(N)=O)C1=O)=O)C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1667 |
| logD: | 2.1667 |
| logSw: | -2.5948 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.299 |
| InChI Key: | QBKRQXCMRBHXIX-UHFFFAOYSA-N |