CC(C)(C)OC(=O)N1CCC(NCCCS(=O)(=O)N2CCC(c3c[nH]c4c(C(N)=O)cc(-c5ccccc5)cc34)CC2)CC1
SMILES: CC(C)(C)OC(=O)N1CCC(NCCCS(=O)(=O)N2CCC(c3c[nH]c4c(C(N)=O)cc(-c5ccccc5)cc34)CC2)CC1

Molecular Processing

Molecular formula
C33H45N5O5S
Molecular weight
623.82
Exact mass
623.3141
XLogP
4.82
TPSA
137.83
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
44
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.515
Molar refractivity
173.04

Supplementary Information

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