N-[2-(4-chlorophenyl)ethyl]-3-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-3-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
N-[2-(4-chlorophenyl)ethyl]-3-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Compound characteristics
| Compound ID: | C241-2182 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-3-{1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide |
| Molecular Weight: | 492.98 |
| Molecular Formula: | C25 H21 Cl N4 O3 S |
| Smiles: | C(CN1C(c2c(ccs2)N(Cc2ccccc2C#N)C1=O)=O)C(NCCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8451 |
| logD: | 3.8451 |
| logSw: | -4.5658 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.633 |
| InChI Key: | VLNAEWOQZNVMDO-UHFFFAOYSA-N |