名称: methyl 3-[(7-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methyl]benzoate
SMILES:
CCc1[nH]c(C(=O)Nc2ccc3c(c2)OCCN3Cc2cccc(C(=O)OC)c2)nc1ClMolecular Processing
Molecular formula
C23H23ClN4O4
Molecular weight
454.91
Exact mass
454.1408
XLogP
4.06
TPSA
96.55
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
121.7
Supplementary Information
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