N-[(2-chlorophenyl)methyl]-6-{1-[(4-nitrophenyl)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-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
N-[(2-chlorophenyl)methyl]-6-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Compound characteristics
| Compound ID: | C241-1584 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-6-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide |
| Molecular Weight: | 541.02 |
| Molecular Formula: | C26 H25 Cl N4 O5 S |
| Smiles: | C(CCC(NCc1ccccc1[Cl])=O)CCN1C(c2c(ccs2)N(Cc2ccc(cc2)[N+]([O-])=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2749 |
| logD: | 5.2749 |
| logSw: | -5.7871 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.117 |
| InChI Key: | NCEXNEJEONGOKC-UHFFFAOYSA-N |