2-[3-{4-[2-(benzylamino)-2-oxoethyl]phenyl}-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-(2-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[3-{4-[2-(benzylamino)-2-oxoethyl]phenyl}-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-(2-methoxyphenyl)acetamide
2-[3-{4-[2-(benzylamino)-2-oxoethyl]phenyl}-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-(2-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C241-1933 |
| Compound Name: | 2-[3-{4-[2-(benzylamino)-2-oxoethyl]phenyl}-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-(2-methoxyphenyl)acetamide |
| Molecular Weight: | 554.62 |
| Molecular Formula: | C30 H26 N4 O5 S |
| Smiles: | COc1ccccc1NC(CN1C(N(C(c2c1ccs2)=O)c1ccc(CC(NCc2ccccc2)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4516 |
| logD: | 3.4515 |
| logSw: | -3.8379 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.956 |
| InChI Key: | KHLFAPPYMDEBNT-UHFFFAOYSA-N |