N-[(2-chlorophenyl)methyl]-6-{2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-6-{2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
N-[(2-chlorophenyl)methyl]-6-{2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Compound characteristics
| Compound ID: | C241-1586 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-6-{2,4-dioxo-1-[(2,4,6-trimethylphenyl)methyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide |
| Molecular Weight: | 538.11 |
| Molecular Formula: | C29 H32 Cl N3 O3 S |
| Smiles: | Cc1cc(C)c(CN2C(N(CCCCCC(NCc3ccccc3[Cl])=O)C(c3c2ccs3)=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.7666 |
| logD: | 6.7666 |
| logSw: | -6.1751 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.735 |
| InChI Key: | NMYILBCOADYFNG-UHFFFAOYSA-N |