Name: 3,4-Dihydro 5-[2-hydroxy-3-(4-(tert-butoxycarbonylamino)-1-piperidyl)propoxy]carbostyril
SMILES:
CC(C)(C)OC(=O)NC1CCN(CC(O)COc2cccc3c2CCC(=O)N3)CC1Molecular Processing
Molecular formula
C22H33N3O5
Molecular weight
419.52
Exact mass
419.242
XLogP
2.3
TPSA
100.13
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
113.73
Supplementary Information
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