CC(C)(C)OC(=O)NC1CCC(CC1)OC2=CC=CC3=CN=CC(=C32)Br
الاسم: tert-butyl N-[4-(4-bromoisoquinolin-5-yl)oxycyclohexyl]carbamate
SMILES: CC(C)(C)OC(=O)NC1CCC(CC1)OC2=CC=CC3=CN=CC(=C32)Br

Molecular Processing

Molecular formula
C20H25BrN2O3
Molecular weight
421.34
Exact mass
420.1049
XLogP
5.21
TPSA
60.45
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
105.48

Supplementary Information

InChIKey: JCSFHALBUSVSMH-UHFFFAOYSA-N
مرادفات
SCHEMBL5664951SCHEMBL5664953JCSFHALBUSVSMH-SHTZXODSSA-Ntrans-N-(tert-butoxycarbonyl)-4-[(4-bromo-5-isoquinolyl)oxy]cyclohexylamine
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