이름: (1E,4E)-8-bromo-2-(tert-butoxycarbonylamino)-3H-benzo[b]azepine-4-carboxylic acid
SMILES:
CC(C)(C)OC(=O)NC1=Nc2cc(Br)ccc2C=C(C(=O)O)C1Molecular Processing
Molecular formula
C16H17BrN2O4
Molecular weight
381.23
Exact mass
380.0372
XLogP
3.88
TPSA
87.99
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
90.84
Supplementary Information
상세 정보 불러오는 중…
12개 반응에 참여→