Name: {4-[8,8-dimethyl-2-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-5-oxo-6-(tetrahydropyran-4-yl)-5,6,7,8-tetrahydro-9-oxa-1,3,6-triazabenzocyclohepten-4-yl]phenyl}carbamic acid phenyl ester
SMILES:
CC1(C)CN(C2CCOCC2)C(=O)c2c(nc(N3CC4CCC(C3)O4)nc2-c2ccc(NC(=O)Oc3ccccc3)cc2)O1Molecular Processing
Molecular formula
C33H37N5O6
Molecular weight
599.69
Exact mass
599.2744
XLogP
4.91
TPSA
115.35
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
44
Rings
7
Aromatic rings
3
Saturated rings
3
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
163.25
Supplementary Information
Details werden geladen…
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