Name: 8-Phenylmethoxy-3,4-dihydro-5-[2-hydroxy-3-(4-(isobutoxycarbonylamino)-1-piperidyl)propoxy]carbostyril
SMILES:
CC(C)COC(=O)NC1CCN(CC(O)COc2ccc(OCc3ccccc3)c3c2CCC(=O)N3)CC1Molecular Processing
Molecular formula
C29H39N3O6
Molecular weight
525.65
Exact mass
525.2839
XLogP
3.74
TPSA
109.36
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
38
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.517
Molar refractivity
144.45
Supplementary Information
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