N-[2-(azepan-1-yl)ethyl]-4-(3,4-dimethyl-7-oxo[1,2]oxazolo[3,4-d]pyridazin-6(7H)-yl)butanamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-4-(3,4-dimethyl-7-oxo[1,2]oxazolo[3,4-d]pyridazin-6(7H)-yl)butanamide
N-[2-(azepan-1-yl)ethyl]-4-(3,4-dimethyl-7-oxo[1,2]oxazolo[3,4-d]pyridazin-6(7H)-yl)butanamide
Compound characteristics
| Compound ID: | F489-0171 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-4-(3,4-dimethyl-7-oxo[1,2]oxazolo[3,4-d]pyridazin-6(7H)-yl)butanamide |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C19 H29 N5 O3 |
| Smiles: | CC1c2c(C(N(CCCC(NCCN3CCCCCC3)=O)N=1)=O)noc2C |
| Stereo: | ACHIRAL |
| logP: | 0.4613 |
| logD: | -1.2375 |
| logSw: | -0.515 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.567 |
| InChI Key: | ACDNMAUTBMTRAG-UHFFFAOYSA-N |