N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide
Compound characteristics
| Compound ID: | C241-1544 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-{1-[(2,5-dimethylphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}hexanamide |
| Molecular Weight: | 533.65 |
| Molecular Formula: | C29 H31 N3 O5 S |
| Smiles: | Cc1ccc(C)c(CN2C(N(CCCCCC(NCc3ccc4c(c3)OCO4)=O)C(c3c2ccs3)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5263 |
| logD: | 5.5263 |
| logSw: | -5.1701 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.851 |
| InChI Key: | NTBOLARWDACBOH-UHFFFAOYSA-N |