N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Chemical Structure Depiction of
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Compound characteristics
| Compound ID: | C096-0120 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}acetamide |
| Molecular Weight: | 652.84 |
| Molecular Formula: | C32 H40 N6 O5 S2 |
| Smiles: | CCN(CCCNC(CN1C=Nc2c(C1=O)c(c(C)s2)S(N1CCN(CC1)c1ccccc1OC)(=O)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.4883 |
| logD: | 3.456 |
| logSw: | -4.02 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.845 |
| InChI Key: | FXNHQBJXKMJYBE-UHFFFAOYSA-N |