الاسم: 3-[5-(1-isopropyl-piperidin-4-ylcarbamoyl)-2,4-dimethyl-1H-pyrrol-3-yl]-propionic acid methyl ester
SMILES:
COC(=O)CCc1c(C)[nH]c(C(=O)NC2CCN(C(C)C)CC2)c1CMolecular Processing
Molecular formula
C19H31N3O3
Molecular weight
349.48
Exact mass
349.2365
XLogP
2.34
TPSA
74.43
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.684
Molar refractivity
97.8
Supplementary Information
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