COc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)Cl)CC2
Name: 6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl chloride
SMILES: COc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)Cl)CC2

Molecular Processing

Molecular formula
C18H18ClNO3
Molecular weight
331.8
Exact mass
331.0975
XLogP
4.01
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
89.49

Supplementary Information

InChIKey: RPSXHNAQGPZJLN-UHFFFAOYSA-N
Synonyme
SCHEMBL11717987RPSXHNAQGPZJLN-UHFFFAOYSA-N6,7-dimethoxy-1-phenyl-3,4-dihydro-2(1H)-isoquinolinecarbonyl chloride
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