N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | C186-0474 |
| Compound Name: | N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-2-[5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 546.66 |
| Molecular Formula: | C25 H30 N4 O6 S2 |
| Smiles: | CC1CC(C)CN(C1)S(c1c2C(N(CC(NCC3COc4ccccc4O3)=O)C=Nc2sc1C)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5036 |
| logD: | 2.5036 |
| logSw: | -2.7889 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.97 |
| InChI Key: | NODXENFYMFCUKG-UHFFFAOYSA-N |