Name: 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(1-isopropyl-piperidin-4-ylcarbamoyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid methyl ester
SMILES:
COC(=O)c1cnc2c(c1)cc(C(=O)NC1CCN(C(C)C)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1Molecular Processing
Molecular formula
C26H28ClN5O4S
Molecular weight
542.06
Exact mass
541.1551
XLogP
4.84
TPSA
102.49
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
37
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
142.2
Supplementary Information
Details werden geladen…
An 4 Reaktionen beteiligt→