C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)OC4=NC=C(C=C4)I
CAS: 720691-59-8
Название: 3-cyclobutyl-7-[(5-iodo-2-pyridinyl)oxy]-1,2,4,5-tetrahydro-3-benzazepine
SMILES: C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)OC4=NC=C(C=C4)I

Molecular Processing

Molecular formula
C19H21IN2O
Molecular weight
420.29
Exact mass
420.0699
XLogP
4.43
TPSA
25.36
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
100.09

Supplementary Information

InChIKey: BRIUDTFRSOVFPR-UHFFFAOYSA-N
Синонимы
1H-3-Benzazepine, 3-cyclobutyl-2,3,4,5-tetrahydro-7-[(5-iodo-2-pyridinyl)oxy]-720691-59-83-cyclobutyl-7-[(5-iodopyridin-2-yl)oxy]-2,3,4,5-tetrahydro-1H-3-benzazepineSCHEMBL3081301BRIUDTFRSOVFPR-UHFFFAOYSA-N3-cyclobutyl-7-[(5-iodo-2-pyridinyl)oxy]-2,3,4,5-tetrahydro-1H-3-benzazepine
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