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

Molecular Processing

Molecular formula
C28H32ClN7O4
Molecular weight
566.06
Exact mass
565.2204
XLogP
3.22
TPSA
122.55
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
148.56

Supplementary Information

InChIKey: FTJQQCRIQODVCN-UHFFFAOYSA-N
Синонимы
SCHEMBL583267FTJQQCRIQODVCN-UHFFFAOYSA-N3-({1-[1-(4-Chloro-3-methyl-benzyl)-piperidin-4-yl]-5-oxo-pyrrolidine-2-carbonyl}-amino)-5-(1-methyl-1H-tetrazol-5-yl)-benzoic acid methyl ester
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