2-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
2-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | F149-0513 |
| Compound Name: | 2-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide |
| Molecular Weight: | 364.47 |
| Molecular Formula: | C16 H24 N6 O2 S |
| Smiles: | CN(C)CCNC(C1=CC(N=C2N1N=C(N1CCCCCC1)S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0799 |
| logD: | -0.3717 |
| logSw: | -1.8404 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.736 |
| InChI Key: | PBTOJUQKLPBQOA-UHFFFAOYSA-N |