C1CC(C1)COCCC2=CC=C(C=C2)OCC(CNCCN3C4=C(C=C(C=C4)C5=NNC(=O)CC5)N=N3)O
이름: 3-[1-[2-[[3-[4-[2-(cyclobutylmethoxy)ethyl]phenoxy]-2-hydroxypropyl]amino]ethyl]benzotriazol-5-yl]-4,5-dihydro-1H-pyridazin-6-one
SMILES: C1CC(C1)COCCC2=CC=C(C=C2)OCC(CNCCN3C4=C(C=C(C=C4)C5=NNC(=O)CC5)N=N3)O

Molecular Processing

Molecular formula
C28H36N6O4
Molecular weight
520.63
Exact mass
520.2798
XLogP
2.43
TPSA
122.89
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
14
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
144.12

Supplementary Information

InChIKey: GHHXLDWWZFIZKA-UHFFFAOYSA-N
동의어
SCHEMBL9686757GHHXLDWWZFIZKA-UHFFFAOYSA-N6-[1-[2-[3-(4-(2-Cyclobutylmethoxy-ethyl)phenoxy)-2-hydroxypropylamino]ethyl]benztriazol-5-yl]-4,5-dihydro-3(2H)-pyridazinone
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