COC(=O)CN1C(=O)[C@H](NC(=O)OC(C)(C)C)Cc2ccccc21
名称: (R)-3-t-butyloxycarbonylamino-1-carbomethoxymethyl-3,4-dihydrocarbostyril
SMILES: COC(=O)CN1C(=O)[C@H](NC(=O)OC(C)(C)C)Cc2ccccc21

Molecular Processing

Molecular formula
C17H22N2O5
Molecular weight
334.37
Exact mass
334.1529
XLogP
1.64
TPSA
84.94
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
87.67

Supplementary Information

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