N-[3-(azepan-1-yl)propyl]-2-[5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-[5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
N-[3-(azepan-1-yl)propyl]-2-[5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | C186-0486 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-[5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 537.74 |
| Molecular Formula: | C25 H39 N5 O4 S2 |
| Smiles: | CC1CC(C)CN(C1)S(c1c2C(N(CC(NCCCN3CCCCCC3)=O)C=Nc2sc1C)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3748 |
| logD: | -0.2538 |
| logSw: | -2.5136 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.446 |
| InChI Key: | AMBIBTPTGHZZAU-UHFFFAOYSA-N |