2-(azepan-1-yl)-N-[(2-ethoxyphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-[(2-ethoxyphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
2-(azepan-1-yl)-N-[(2-ethoxyphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G205-1214 |
| Compound Name: | 2-(azepan-1-yl)-N-[(2-ethoxyphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C21 H25 N5 O3 S |
| Smiles: | CCOc1ccccc1CNC(C1=CN=C2N(C1=O)N=C(N1CCCCCC1)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1662 |
| logD: | 3.0434 |
| logSw: | -3.322 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.781 |
| InChI Key: | WTWMYSGJFDWFJY-UHFFFAOYSA-N |