SMILES:
CC(C)NCC(O)COc1ncc(C(=O)NCCC2C3CC4CC(C3)CC2C4)s1Molecular Processing
Molecular formula
C22H35N3O3S
Molecular weight
421.61
Exact mass
421.2399
XLogP
3.07
TPSA
83.48
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
29
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.818
Molar refractivity
114.24
Supplementary Information
Details werden geladen…
An 3 Reaktionen beteiligt→