2-(azepan-1-yl)-N-[3-(furan-2-yl)propyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-[3-(furan-2-yl)propyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
2-(azepan-1-yl)-N-[3-(furan-2-yl)propyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C796-0865 |
| Compound Name: | 2-(azepan-1-yl)-N-[3-(furan-2-yl)propyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C19 H23 N5 O3 S |
| Smiles: | C1CCCN(CC1)C1=NN2C(=NC=C(C(NCCCc3ccco3)=O)C2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.4608 |
| logD: | 2.4584 |
| logSw: | -2.7719 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.161 |
| InChI Key: | YBKCHZDMBYIFDE-UHFFFAOYSA-N |