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-[(4-methylphenyl)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-[(4-methylphenyl)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-[(4-methylphenyl)methyl]butanamide
Compound characteristics
| Compound ID: | C241-1355 |
| 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-[(4-methylphenyl)methyl]butanamide |
| Molecular Weight: | 578.69 |
| Molecular Formula: | C30 H34 N4 O6 S |
| Smiles: | Cc1ccc(CNC(CCCN2C(c3c(ccs3)N(CC(NCCc3ccc(c(c3)OC)OC)=O)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2559 |
| logD: | 2.2559 |
| logSw: | -2.9392 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.309 |
| InChI Key: | MWLCJEZLGRRHDI-UHFFFAOYSA-N |