CCOC(=O)c1sc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](OCC)C2)nc1C(=O)NC
SMILES: CCOC(=O)c1sc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](OCC)C2)nc1C(=O)NC

Molecular Processing

Molecular formula
C21H29ClN6O5S
Molecular weight
513.02
Exact mass
512.1609
XLogP
2.03
TPSA
138.54
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
127.93

Supplementary Information

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