2-(azepan-1-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
2-(azepan-1-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | F149-0626 |
| Compound Name: | 2-(azepan-1-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C22 H27 N5 O4 S |
| Smiles: | CCOc1ccc(CNC(C2=CC(N=C3N2N=C(N2CCCCCC2)S3)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.7046 |
| logD: | 2.6564 |
| logSw: | -3.1631 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.598 |
| InChI Key: | KWPZHLJCQWYQDC-UHFFFAOYSA-N |