CAS: 597563-24-1
이름: methyl 3-(dipropylcarbamoyl)-5-iodobenzoate
SMILES:
CCCN(CCC)C(=O)C1=CC(=CC(=C1)I)C(=O)OCMolecular Processing
Molecular formula
C15H20INO3
Molecular weight
389.23
Exact mass
389.0488
XLogP
3.34
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
86.98
Supplementary Information
InChIKey: VVQRGOLPYXQZRK-UHFFFAOYSA-N
동의어
methyl 3-[(dipropylamino)carbonyl]-5-iodobenzoateSCHEMBL3351101SCHEMBL30029282VVQRGOLPYXQZRK-UHFFFAOYSA-NDTXSID201233341597563-24-1methyl 3-(dipropylcarbamoyl)-5-iodobenzoate
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