2-(azepan-1-yl)-6-(4-benzylpiperazine-1-carbonyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(azepan-1-yl)-6-(4-benzylpiperazine-1-carbonyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(azepan-1-yl)-6-(4-benzylpiperazine-1-carbonyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | G205-1046 |
| Compound Name: | 2-(azepan-1-yl)-6-(4-benzylpiperazine-1-carbonyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 452.58 |
| Molecular Formula: | C23 H28 N6 O2 S |
| Smiles: | C1CCCN(CC1)C1=NN2C(=NC=C(C(N3CCN(CC3)Cc3ccccc3)=O)C2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.5142 |
| logD: | 2.4936 |
| logSw: | -2.5135 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.346 |
| InChI Key: | MRALMZCYKJFBHD-UHFFFAOYSA-N |