CC1CN(CC(N1C(C)C)C)CC2=NN=C(O2)C3=C4C=NN(C4=CC(=C3)Br)S(=O)(=O)C5=CC=CC=C5
الاسم: 2-[1-(benzenesulfonyl)-6-bromoindazol-4-yl]-5-[[(3S,5R)-3,5-dimethyl-4-propan-2-ylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILES: CC1CN(CC(N1C(C)C)C)CC2=NN=C(O2)C3=C4C=NN(C4=CC(=C3)Br)S(=O)(=O)C5=CC=CC=C5

Molecular Processing

Molecular formula
C25H29BrN6O3S
Molecular weight
573.52
Exact mass
572.1205
XLogP
4.39
TPSA
97.36
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
140.93

Supplementary Information

InChIKey: MICMXMQZJIEZSO-HDICACEKSA-N
مرادفات
SCHEMBL720294MICMXMQZJIEZSO-HDICACEKSA-N6-Bromo-4-(5-{[(3R,5S)-3,5-dimethyl-4-(1-methylethyl)-1-piperazinyl]methyl}-1,3,4-oxadiazol-2-yl)-1-(phenylsulfonyl)-1H-indazole
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