N-[(2-chlorophenyl)methyl]-6-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-6-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
N-[(2-chlorophenyl)methyl]-6-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Compound characteristics
| Compound ID: | C241-1587 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-6-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide |
| Molecular Weight: | 554.06 |
| Molecular Formula: | C28 H28 Cl N3 O5 S |
| Smiles: | COc1ccc(C=O)cc1CN1C(N(CCCCCC(NCc2ccccc2[Cl])=O)C(c2c1ccs2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7752 |
| logD: | 4.7752 |
| logSw: | -4.9634 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.525 |
| InChI Key: | RJIWFUHBBQERLQ-UHFFFAOYSA-N |