C1C2C1(CN(C2)CCCN3C=C(C(=O)NC3=O)I)C4=CC=C(C=C4)C(F)(F)F
الاسم: 5-iodo-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione
SMILES: C1C2C1(CN(C2)CCCN3C=C(C(=O)NC3=O)I)C4=CC=C(C=C4)C(F)(F)F

Molecular Processing

Molecular formula
C19H19F3IN3O2
Molecular weight
505.28
Exact mass
505.0474
XLogP
2.82
TPSA
58.1
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.474
Molar refractivity
106.33

Supplementary Information

InChIKey: YOBJTKXSMMMTKH-KBXCAEBGSA-N
مرادفات
5-iodo-1-(3-{(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hex-3-yl}propyl)-2,4(1H,3H)-pyrimidinedioneSCHEMBL27454935-Iodo-1-{3-[(1S,5R)-1-(4-trifluoromethyl-phenyl)-3-aza-bicyclo[3.1.0]hex-3-yl]-propyl}-1H-pyrimidine-2,4-dione
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