2-(azepan-1-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
2-(azepan-1-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | F149-0530 |
| Compound Name: | 2-(azepan-1-yl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C20 H21 N5 O4 S |
| Smiles: | C1CCCN(CC1)C1=NN2C(=CC(N=C2S1)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6572 |
| logD: | 2.609 |
| logSw: | -3.1183 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.873 |
| InChI Key: | FTSJZKAIAGQXLR-UHFFFAOYSA-N |