CCOC(=O)c1cnc(N2CC[C@H](NC(=O)c3nc(Cl)c(C)[nH]3)[C@H](OC)C2)s1
SMILES: CCOC(=O)c1cnc(N2CC[C@H](NC(=O)c3nc(Cl)c(C)[nH]3)[C@H](OC)C2)s1

Molecular Processing

Molecular formula
C17H22ClN5O4S
Molecular weight
427.91
Exact mass
427.1081
XLogP
2.03
TPSA
109.44
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
28
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
0.529
Molar refractivity
105.29

Supplementary Information

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