Nc1cc2c(cc1Cl)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1c1ccccc1O2
Nombre: N-[(6R,7R)-17-amino-18-chloro-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: Nc1cc2c(cc1Cl)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1c1ccccc1O2

Molecular Processing

Molecular formula
C19H17ClF3N3O2
Molecular weight
411.81
Exact mass
411.0961
XLogP
4.42
TPSA
67.59
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
99.69

Supplementary Information

InChIKey: NCDRTJQALOWAOE-CXAGYDPISA-N
Sinónimos
trans-N-(8-Amino-7-chloro-2,3,4,14b-tetrahydro-1H-dibenzo[b,f]pyrido[1,2-d][1,4]oxazepin-1-yl)-2,2,2-trifluoroacetamidetrans-n-(8-amino-7-chloro-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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