2-(azepan-1-yl)-N-[(4-ethoxyphenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-[(4-ethoxyphenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
2-(azepan-1-yl)-N-[(4-ethoxyphenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | F149-0631 |
| Compound Name: | 2-(azepan-1-yl)-N-[(4-ethoxyphenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C21 H25 N5 O3 S |
| Smiles: | CCOc1ccc(CNC(C2=CC(N=C3N2N=C(N2CCCCCC2)S3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1131 |
| logD: | 3.031 |
| logSw: | -3.3734 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.881 |
| InChI Key: | SUYDVLZFIDMNJU-UHFFFAOYSA-N |