N-benzyl-3-[1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]propanamide
Chemical Structure Depiction of
N-benzyl-3-[1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]propanamide
N-benzyl-3-[1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]propanamide
Compound characteristics
| Compound ID: | C241-1273 |
| Compound Name: | N-benzyl-3-[1-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]propanamide |
| Molecular Weight: | 550.63 |
| Molecular Formula: | C28 H30 N4 O6 S |
| Smiles: | COc1ccc(CCNC(CN2C(N(CCC(NCc3ccccc3)=O)C(c3c2ccs3)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.0858 |
| logD: | 2.0858 |
| logSw: | -2.8956 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.309 |
| InChI Key: | NGHKQVSEAGBGHD-UHFFFAOYSA-N |