CCCN(CCC)C(=O)C1=CC(=CC(=C1)Br)C(=O)OC
CAS: 388071-08-7
الاسم: methyl 3-bromo-5-(dipropylcarbamoyl)benzoate
SMILES: CCCN(CCC)C(=O)C1=CC(=CC(=C1)Br)C(=O)OC

Molecular Processing

Molecular formula
C15H20BrNO3
Molecular weight
342.23
Exact mass
341.0627
XLogP
3.5
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
81.97

Supplementary Information

InChIKey: VBOWEBSRRPZMKL-UHFFFAOYSA-N
مرادفات
methyl 3-bromo-5-(dipropylcarbamoyl)benzoatemethyl-3-bromo-5-[(dipropylamino)carbonyl)benzoatemethyl-3-bromo-5-[(dipropylamino)carbonyl]benzoate388071-08-7methyl 3-bromo-5-(dipropylcarbamoyl)-benzoateSCHEMBL3347320DTXSID10620430VBOWEBSRRPZMKL-UHFFFAOYSA-NMethyl 3-bromo-5-[(dipropylamino)carbonyl]benzoate
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