2-(azepan-1-yl)-5-oxo-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(azepan-1-yl)-5-oxo-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
2-(azepan-1-yl)-5-oxo-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G205-1243 |
| Compound Name: | 2-(azepan-1-yl)-5-oxo-N-({4-[(propan-2-yl)oxy]phenyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C22 H27 N5 O3 S |
| Smiles: | CC(C)Oc1ccc(CNC(C2=CN=C3N(C2=O)N=C(N2CCCCCC2)S3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2234 |
| logD: | 3.2094 |
| logSw: | -3.5096 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.373 |
| InChI Key: | WZVAYVLRKYNESL-UHFFFAOYSA-N |