4-({1-[(4-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-pentylcyclohexane-1-carboxamide
Chemical Structure Depiction of
4-({1-[(4-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-pentylcyclohexane-1-carboxamide
4-({1-[(4-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-pentylcyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | G346-0114 |
| Compound Name: | 4-({1-[(4-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-pentylcyclohexane-1-carboxamide |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Smiles: | CCCCCNC(C1CCC(CC1)CN1C(c2c(ccs2)N(Cc2ccc(C#N)cc2)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5018 |
| logD: | 5.5018 |
| logSw: | -5.2384 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.06 |
| InChI Key: | ZKJRBLLBDIHWKW-UHFFFAOYSA-N |