N-benzyl-4-({1-[(5-formyl-2-methoxyphenyl)methyl]-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-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)cyclohexane-1-carboxamide
N-benzyl-4-({1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C200-5182 |
| Compound Name: | N-benzyl-4-({1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 545.66 |
| Molecular Formula: | C30 H31 N3 O5 S |
| Smiles: | COc1ccc(C=O)cc1CN1C(N(CC2CCC(CC2)C(NCc2ccccc2)=O)C(c2c1ccs2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7919 |
| logD: | 4.7919 |
| logSw: | -4.6193 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.68 |
| InChI Key: | AVRIUKDZUCGDNG-UHFFFAOYSA-N |