COc1cc2c(cc1O)C(Cc1ccc(OC)c(OC)c1)N(CC(=O)NCc1ccccc1)CC2
이름: N-benzyl-2-[1-[(3,4-dimethoxyphenyl)methyl]-7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
SMILES: COc1cc2c(cc1O)C(Cc1ccc(OC)c(OC)c1)N(CC(=O)NCc1ccccc1)CC2

Molecular Processing

Molecular formula
C28H32N2O5
Molecular weight
476.57
Exact mass
476.2311
XLogP
3.88
TPSA
80.26
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
134.22

Supplementary Information

InChIKey: HSGSJIIJCGUGLY-UHFFFAOYSA-N
동의어
SCHEMBL6381534CHEMBL2418880HSGSJIIJCGUGLY-UHFFFAOYSA-N2-[1-(3,4-dimethoxy-benzyl)-7-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-benzyl-acetamide
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