CCCN(CCC)C(=O)C1=CC2=C(C=C(C=C2)Br)N=C(C1)N
名称: 2-amino-8-bromo-N,N-dipropyl-3H-1-benzazepine-4-carboxamide
SMILES: CCCN(CCC)C(=O)C1=CC2=C(C=C(C=C2)Br)N=C(C1)N

Molecular Processing

Molecular formula
C17H22BrN3O
Molecular weight
364.29
Exact mass
363.0946
XLogP
3.87
TPSA
58.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
95.18

Supplementary Information

InChIKey: AVCVYLYRVPZDBN-UHFFFAOYSA-N
同義語
SCHEMBL1239780SCHEMBL28771849AVCVYLYRVPZDBN-UHFFFAOYSA-N2-amino-8-bromo-N,N-dipropyl-3H-benzo[b]azepine-4-carboxamide(1E,4E)-2-amino-8-bromo-N,N-dipropyl-3H-benzo[b]azepine-4-carboxamide
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