N-[2-(azepan-1-yl)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide--hydrogen chloride (1/1)
N-[2-(azepan-1-yl)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | F149-0284 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-(4-methylpiperidin-1-yl)-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 455.02 |
| Molecular Formula: | C20 H30 N6 O2 S |
| Salt: | HCl |
| Smiles: | CC1CCN(CC1)C1=NN2C(=CC(N=C2S1)=O)C(NCCN1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2537 |
| logD: | 0.6498 |
| logSw: | -2.5373 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.582 |
| InChI Key: | PWSPYJBOCYEGAE-UHFFFAOYSA-N |