2-(azepan-1-yl)-N-[(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-[(4-methoxyphenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | F149-0523 |
| Compound Name: | 2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide |
| Molecular Weight: | 413.5 |
| Molecular Formula: | C20 H23 N5 O3 S |
| Smiles: | COc1ccc(CNC(C2=CC(N=C3N2N=C(N2CCCCCC2)S3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7265 |
| logD: | 2.6444 |
| logSw: | -3.2629 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.301 |
| InChI Key: | URISIABRNSAFHF-UHFFFAOYSA-N |