2-(azepan-1-yl)-N-{[4-(dimethylamino)phenyl]methyl}-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-{[4-(dimethylamino)phenyl]methyl}-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
2-(azepan-1-yl)-N-{[4-(dimethylamino)phenyl]methyl}-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G205-1267 |
| Compound Name: | 2-(azepan-1-yl)-N-{[4-(dimethylamino)phenyl]methyl}-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C21 H26 N6 O2 S |
| Smiles: | CN(C)c1ccc(CNC(C2=CN=C3N(C2=O)N=C(N2CCCCCC2)S3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6469 |
| logD: | 2.6128 |
| logSw: | -2.9922 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.376 |
| InChI Key: | VGPCLESDNRKUFD-UHFFFAOYSA-N |