CCCCOC(=O)c1nc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](OC)C2)sc1CC
SMILES: CCCCOC(=O)c1nc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](OC)C2)sc1CC

Molecular Processing

Molecular formula
C22H32ClN5O4S
Molecular weight
498.05
Exact mass
497.1864
XLogP
3.63
TPSA
109.44
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
128.54

Supplementary Information

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