이름: Ethyl trans(±)-2-[(5-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-1,3-dihydro-2H-isoindol-2-yl)carbonyl]cyclopropanecarboxylate
SMILES:
CCOC(=O)[C@@H]1C[C@H]1C(=O)N1Cc2ccc(NC(=O)c3nc(Cl)c(CC)[nH]3)cc2C1Molecular Processing
Molecular formula
C21H23ClN4O4
Molecular weight
430.89
Exact mass
430.1408
XLogP
2.92
TPSA
104.39
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
109.85
Supplementary Information
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