CC1=C(C=CC(=C1)CN2CCC(CC2)N3C(CCC3=O)C(=O)NC4=CC(=CC(=C4)C5=NN=NN5C)Br)Cl
Название: N-[3-bromo-5-(1-methyltetrazol-5-yl)phenyl]-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
SMILES: CC1=C(C=CC(=C1)CN2CCC(CC2)N3C(CCC3=O)C(=O)NC4=CC(=CC(=C4)C5=NN=NN5C)Br)Cl

Molecular Processing

Molecular formula
C26H29BrClN7O2
Molecular weight
586.92
Exact mass
585.1255
XLogP
4.2
TPSA
96.25
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
144.92

Supplementary Information

InChIKey: PHGWNBYYEIPYGI-UHFFFAOYSA-N
Синонимы
SCHEMBL587571PHGWNBYYEIPYGI-UHFFFAOYSA-N1-[1-(4-Chloro-3-methyl-benzyl)-piperidin-4-yl]-5-oxo-pyrrolidine-2-carboxylic acid [3-bromo-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-amide
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