CC1=CC=C(S1)C2=CCC(C3=C2C=C(C=C3)Br)(C)C
Name: 2-(7-bromo-4,4-dimethyl-3H-naphthalen-1-yl)-5-methylthiophene
SMILES: CC1=CC=C(S1)C2=CCC(C3=C2C=C(C=C3)Br)(C)C

Molecular Processing

Molecular formula
C17H17BrS
Molecular weight
333.29
Exact mass
332.0234
XLogP
5.93
TPSA
0
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
87.92

Supplementary Information

InChIKey: KFKZCDIOACADDH-UHFFFAOYSA-N
Synonyms
SCHEMBL5331991KFKZCDIOACADDH-UHFFFAOYSA-N1-(5-Methyl-thien-2-yl) 3,4-dihydro-4,4-dimethyl-7-bromo-naphthalene1-(5-methyl-thien-2-yl)-3,4-dihydro-4,4-dimethyl-7-bromo-naphthalene1-(5-Methyl-thien-2-yl)3,4-dihydro-4,4-dimethyl-7-bromo-naphthalene
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