N-[3-(azepan-1-yl)propyl]-4-(3,4-dimethyl-7-oxo[1,2]oxazolo[3,4-d]pyridazin-6(7H)-yl)butanamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-4-(3,4-dimethyl-7-oxo[1,2]oxazolo[3,4-d]pyridazin-6(7H)-yl)butanamide
N-[3-(azepan-1-yl)propyl]-4-(3,4-dimethyl-7-oxo[1,2]oxazolo[3,4-d]pyridazin-6(7H)-yl)butanamide
Compound characteristics
Compound ID: | F489-0168 |
Compound Name: | N-[3-(azepan-1-yl)propyl]-4-(3,4-dimethyl-7-oxo[1,2]oxazolo[3,4-d]pyridazin-6(7H)-yl)butanamide |
Molecular Weight: | 389.5 |
Molecular Formula: | C20 H31 N5 O3 |
Smiles: | CC1c2c(C(N(CCCC(NCCCN3CCCCCC3)=O)N=1)=O)noc2C |
Stereo: | ACHIRAL |
logP: | 0.5845 |
logD: | -2.0441 |
logSw: | -0.5101 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 77.567 |
InChI Key: | OVWQXPOMHDEHPB-UHFFFAOYSA-N |