4-{[1-(2-{[(2,3-dimethoxyphenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N-pentylcyclohexane-1-carboxamide
Chemical Structure Depiction of
4-{[1-(2-{[(2,3-dimethoxyphenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N-pentylcyclohexane-1-carboxamide
4-{[1-(2-{[(2,3-dimethoxyphenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N-pentylcyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C200-5187 |
| Compound Name: | 4-{[1-(2-{[(2,3-dimethoxyphenyl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}-N-pentylcyclohexane-1-carboxamide |
| Molecular Weight: | 584.74 |
| Molecular Formula: | C30 H40 N4 O6 S |
| Smiles: | CCCCCNC(C1CCC(CC1)CN1C(c2c(ccs2)N(CC(NCc2cccc(c2OC)OC)=O)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.972 |
| logD: | 4.972 |
| logSw: | -4.5879 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.823 |
| InChI Key: | DYBHTKXSOWUQEN-UHFFFAOYSA-N |