2-(azepan-1-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
2-(azepan-1-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G205-1117 |
| Compound Name: | 2-(azepan-1-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C20 H21 N5 O4 S |
| Smiles: | C1CCCN(CC1)C1=NN2C(=NC=C(C(NCc3ccc4c(c3)OCO4)=O)C2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.4699 |
| logD: | 2.4653 |
| logSw: | -2.9371 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.686 |
| InChI Key: | PJOCTFBCRTWCKM-UHFFFAOYSA-N |