ethyl 4-{4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}piperazine-1-carboxylate
ethyl 4-{4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K292-1583 |
| Compound Name: | ethyl 4-{4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carbonyl}piperazine-1-carboxylate |
| Molecular Weight: | 464.6 |
| Molecular Formula: | C21 H28 N4 O4 S2 |
| Smiles: | CCOC(N1CCN(CC1)C(C1CCC(CC1)CN1C(c2c(ccs2)NC1=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3469 |
| logD: | 3.3463 |
| logSw: | -3.3363 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.957 |
| InChI Key: | GANTUKOFUVOSSR-UHFFFAOYSA-N |