2-(azepan-1-yl)-N-[(2-chlorophenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-[(2-chlorophenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
2-(azepan-1-yl)-N-[(2-chlorophenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G205-1091 |
| Compound Name: | 2-(azepan-1-yl)-N-[(2-chlorophenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 417.92 |
| Molecular Formula: | C19 H20 Cl N5 O2 S |
| Smiles: | C1CCCN(CC1)C1=NN2C(=NC=C(C(NCc3ccccc3[Cl])=O)C2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.3389 |
| logD: | 3.216 |
| logSw: | -3.4771 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.571 |
| InChI Key: | KGFNADSMPRKNMI-UHFFFAOYSA-N |