N-benzyl-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}-N-methylacetamide
Chemical Structure Depiction of
N-benzyl-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}-N-methylacetamide
N-benzyl-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}-N-methylacetamide
Compound characteristics
| Compound ID: | C096-0042 |
| Compound Name: | N-benzyl-2-{5-[4-(2-methoxyphenyl)piperazine-1-sulfonyl]-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl}-N-methylacetamide |
| Molecular Weight: | 581.71 |
| Molecular Formula: | C28 H31 N5 O5 S2 |
| Smiles: | Cc1c(c2C(N(CC(N(C)Cc3ccccc3)=O)C=Nc2s1)=O)S(N1CCN(CC1)c1ccccc1OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8612 |
| logD: | 2.8611 |
| logSw: | -3.4307 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.437 |
| InChI Key: | HYHRWHYBZMKVEE-UHFFFAOYSA-N |