CC(C)(C)OC(=O)N1CCC2=C1C=CC(=C2)OCCCCBr
Name: tert-butyl 5-(4-bromobutoxy)-2,3-dihydroindole-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CCC2=C1C=CC(=C2)OCCCCBr

Molecular Processing

Molecular formula
C17H24BrNO3
Molecular weight
370.29
Exact mass
369.094
XLogP
4.54
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
92.25

Supplementary Information

InChIKey: LQZSOKZECYDMNE-UHFFFAOYSA-N
Synonyme
SCHEMBL5637515LQZSOKZECYDMNE-UHFFFAOYSA-N5-(4-Bromo-butoxy)-2,3-dihydro-indole-1-carboxylic acid tert-butyl ester
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