2-(azepan-1-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
2-(azepan-1-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | F149-0617 |
| Compound Name: | 2-(azepan-1-yl)-N-[(3-ethoxy-4-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: | CCOc1cc(CNC(C2=CC(N=C3N2N=C(N2CCCCCC2)S3)=O)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.5046 |
| logD: | 2.4565 |
| logSw: | -2.8674 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.598 |
| InChI Key: | DOIMTZYMHVZBOC-UHFFFAOYSA-N |