N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}butanamide
Compound characteristics
| Compound ID: | C241-1420 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}butanamide |
| Molecular Weight: | 535.58 |
| Molecular Formula: | C27 H25 N3 O7 S |
| Smiles: | COc1ccc(C=O)cc1CN1C(N(CCCC(NCc2ccc3c(c2)OCO3)=O)C(c2c1ccs2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8962 |
| logD: | 2.8962 |
| logSw: | -3.4616 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.64 |
| InChI Key: | LXTCHIWXEFEVDK-UHFFFAOYSA-N |