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 |