이름: ethyl trans(±)-2-[(2-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-2,3-dihydro-1H-inden-5-yl)carbamoyl]cyclopropanecarboxylate
SMILES:
CCOC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccc2c(c1)CC(NC(=O)c1nc(Cl)c(CC)[nH]1)C2Molecular Processing
Molecular formula
C22H25ClN4O4
Molecular weight
444.92
Exact mass
444.1564
XLogP
2.66
TPSA
113.18
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
114.94
Supplementary Information
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