2-(azepan-1-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
2-(azepan-1-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | F149-0627 |
| Compound Name: | 2-(azepan-1-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide |
| Molecular Weight: | 429.56 |
| Molecular Formula: | C20 H23 N5 O2 S2 |
| Smiles: | CSc1ccc(CNC(C2=CC(N=C3N2N=C(N2CCCCCC2)S3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4634 |
| logD: | 3.1119 |
| logSw: | -3.7812 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.758 |
| InChI Key: | HYNLNWPSXJMIGT-UHFFFAOYSA-N |