Name: product
SMILES:
CC(C)(C)OC(=O)[C@H](CNC(=O)c1ccc(C2CC2C(=O)NC2=NCCCN2)s1)NC(=O)OCC12CC3CC(CC(C3)C1)C2Molecular Processing
Molecular formula
C32H45N5O6S
Molecular weight
627.81
Exact mass
627.3091
XLogP
3.7
TPSA
147.22
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
44
Rings
7
Aromatic rings
1
Saturated rings
5
Aliphatic rings
6
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.719
Molar refractivity
165.29
Supplementary Information
Details werden geladen…
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