ethyl 4-{[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}piperazine-1-carboxylate
ethyl 4-{[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}piperazine-1-carboxylate
Compound characteristics
Compound ID: | C096-0497 |
Compound Name: | ethyl 4-{[6-methyl-5-(4-methylpiperidine-1-sulfonyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetyl}piperazine-1-carboxylate |
Molecular Weight: | 525.65 |
Molecular Formula: | C22 H31 N5 O6 S2 |
Smiles: | CCOC(N1CCN(CC1)C(CN1C=Nc2c(C1=O)c(c(C)s2)S(N1CCC(C)CC1)(=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.1598 |
logD: | 1.1598 |
logSw: | -1.7841 |
Hydrogen bond acceptors count: | 13 |
Polar surface area: | 97.125 |
InChI Key: | FDEDACWCGURAQK-UHFFFAOYSA-N |