Name: 2-(4-{8-[(cyclopropyl-methyl-amino)-methyl]-2,2,4,4-tetramethyl-chroman-6-ylethynyl}-phenyl)-propionic acid methyl ester
SMILES:
COC(=O)C(C)c1ccc(C#Cc2cc(CN(C)C3CC3)c3c(c2)C(C)(C)CC(C)(C)O3)cc1Molecular Processing
Molecular formula
C30H37NO3
Molecular weight
459.63
Exact mass
459.2773
XLogP
5.8
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
136.13
Supplementary Information
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