Nom: tert-butyl trans(±)-3-(butylamino)-4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}piperidine-1-carboxylate
SMILES:
CCCCN[C@@H]1CN(c2nc3cccc(C(=O)O)c3s2)CC[C@H]1NC(=O)c1nc(Cl)c(CC)[nH]1Molecular Processing
Molecular formula
C23H29ClN6O3S
Molecular weight
505.04
Exact mass
504.171
XLogP
3.7
TPSA
123.24
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
134.34
Supplementary Information
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