C1CC(C2C3=CC=CC=C3OC4=C(N2C1)C=C(C=C4)Br)NC(=O)C(F)(F)F
이름: N-[(6R,7R)-18-bromo-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-yl]-2,2,2-trifluoroacetamide
SMILES: C1CC(C2C3=CC=CC=C3OC4=C(N2C1)C=C(C=C4)Br)NC(=O)C(F)(F)F

Molecular Processing

Molecular formula
C19H16BrF3N2O2
Molecular weight
441.25
Exact mass
440.0347
XLogP
4.94
TPSA
41.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
97.96

Supplementary Information

InChIKey: WNPUBXWDWROPPE-CXAGYDPISA-N
동의어
trans-N-(7-bromo-2,3,4,14b-tetrahydro-1H-dibenzo[b,f]pyrido[1,2-d][1,4]-oxazepin-1-yl)-2,2,2-trifluoroacetamidetrans-N-(7-bromo-2,3,4,14b-tetrahydro-1H-dibenzo[b,f]pyrido[1,2-d][1,4]oxazepin-1-yl)-2,2,2-trifluoroacetamide
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