4-[1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(furan-2-yl)methyl]butanamide
Chemical Structure Depiction of
4-[1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(furan-2-yl)methyl]butanamide
4-[1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(furan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | C241-1434 |
| Compound Name: | 4-[1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]-N-[(furan-2-yl)methyl]butanamide |
| Molecular Weight: | 554.62 |
| Molecular Formula: | C27 H30 N4 O7 S |
| Smiles: | COc1ccc(CCNC(CN2C(N(CCCC(NCc3ccco3)=O)C(c3c2ccs3)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.5832 |
| logD: | 1.5832 |
| logSw: | -2.4965 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.058 |
| InChI Key: | UUOXWXZDDBFSCW-UHFFFAOYSA-N |