2-(azepan-1-yl)-N-[3-(butylsulfanyl)propyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-[3-(butylsulfanyl)propyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
2-(azepan-1-yl)-N-[3-(butylsulfanyl)propyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G205-1233 |
| Compound Name: | 2-(azepan-1-yl)-N-[3-(butylsulfanyl)propyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 423.6 |
| Molecular Formula: | C19 H29 N5 O2 S2 |
| Smiles: | CCCCSCCCNC(C1=CN=C2N(C1=O)N=C(N1CCCCCC1)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0227 |
| logD: | 3.022 |
| logSw: | -3.1272 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.684 |
| InChI Key: | XZQYEVFWZOXVFK-UHFFFAOYSA-N |