N-benzyl-4-{[1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-{[1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}cyclohexane-1-carboxamide
N-benzyl-4-{[1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C200-5181 |
| Compound Name: | N-benzyl-4-{[1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 629.78 |
| Molecular Formula: | C34 H39 N5 O5 S |
| Smiles: | COc1ccccc1N1CCN(CC1)C(CN1C(N(CC2CCC(CC2)C(NCc2ccccc2)=O)C(c2c1ccs2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3362 |
| logD: | 4.3358 |
| logSw: | -4.245 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.873 |
| InChI Key: | YPAXQECNSKZJGY-UHFFFAOYSA-N |