N-[2-(4-chlorophenyl)ethyl]-3-{1-[(5-formyl-2-methoxyphenyl)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-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
N-[2-(4-chlorophenyl)ethyl]-3-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide
Compound characteristics
| Compound ID: | C241-2185 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-3-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}propanamide |
| Molecular Weight: | 526.01 |
| Molecular Formula: | C26 H24 Cl N3 O5 S |
| Smiles: | COc1ccc(C=O)cc1CN1C(N(CCC(NCCc2ccc(cc2)[Cl])=O)C(c2c1ccs2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6058 |
| logD: | 3.6058 |
| logSw: | -4.2894 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.366 |
| InChI Key: | XCWOQZSWUHRCOZ-UHFFFAOYSA-N |