methyl 2-(2-{3-[3-(benzylamino)-3-oxopropyl]-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{3-[3-(benzylamino)-3-oxopropyl]-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetamido)benzoate
methyl 2-(2-{3-[3-(benzylamino)-3-oxopropyl]-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | C241-1283 |
| Compound Name: | methyl 2-(2-{3-[3-(benzylamino)-3-oxopropyl]-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetamido)benzoate |
| Molecular Weight: | 520.56 |
| Molecular Formula: | C26 H24 N4 O6 S |
| Smiles: | COC(c1ccccc1NC(CN1C(N(CCC(NCc2ccccc2)=O)C(c2c1ccs2)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9408 |
| logD: | 2.9276 |
| logSw: | -3.5248 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.36 |
| InChI Key: | SPKHOGGONFLHDI-UHFFFAOYSA-N |