이름: compound 7
SMILES:
Cc1cccc(C)c1NC(=O)CN1CCN(CC(O)Cc2ccc3c(c2)OCO3)CC1Molecular Processing
Molecular formula
C24H31N3O4
Molecular weight
425.53
Exact mass
425.2315
XLogP
2.19
TPSA
74.27
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
119.7
Supplementary Information
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