N-[2-(3,4-diethoxyphenyl)ethyl]-2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | C066-1976 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-2-[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 576.73 |
| Molecular Formula: | C27 H36 N4 O6 S2 |
| Smiles: | CCOc1ccc(CCNC(CN2C=Nc3c(C2=O)c(c(C)s3)S(N2CCC(C)CC2)(=O)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.0331 |
| logD: | 2.0331 |
| logSw: | -2.9515 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.686 |
| InChI Key: | WBSULNAYKWMVDQ-UHFFFAOYSA-N |