الاسم: (1R,2S)-ethyl 1-((2S,4R)-4-(3-(benzo[d]thiazol-2-yl)quinoxalin-2-yloxy)pyrrolidine-2-carboxamido)-2-vinylcyclopropanecarboxylate
SMILES:
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nc3ccccc3nc2-c2nc3ccccc3s2)CN1)C(=O)OCCMolecular Processing
Molecular formula
C28H27N5O4S
Molecular weight
529.62
Exact mass
529.1784
XLogP
3.64
TPSA
115.33
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
38
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
144.79
Supplementary Information
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