N-[(4-methylphenyl)methyl]-6-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-6-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
N-[(4-methylphenyl)methyl]-6-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Compound characteristics
| Compound ID: | C241-2048 |
| Compound Name: | N-[(4-methylphenyl)methyl]-6-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide |
| Molecular Weight: | 520.61 |
| Molecular Formula: | C27 H28 N4 O5 S |
| Smiles: | Cc1ccc(CNC(CCCCCN2C(c3c(ccs3)N(Cc3cccc(c3)[N+]([O-])=O)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8528 |
| logD: | 4.8528 |
| logSw: | -4.4935 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.117 |
| InChI Key: | DZULMIILBUDAAB-UHFFFAOYSA-N |