CC(C)N1CCC(CC1)NC(=O)C2=NC3=C(C=CC=C3N2CC4=NOC(=C4)C5=CC=C(S5)Cl)C(=O)N6CC(C6)OC
Nombre: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-4-(3-methoxyazetidine-1-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)benzimidazole-2-carboxamide
SMILES: CC(C)N1CCC(CC1)NC(=O)C2=NC3=C(C=CC=C3N2CC4=NOC(=C4)C5=CC=C(S5)Cl)C(=O)N6CC(C6)OC

Molecular Processing

Molecular formula
C29H33ClN6O4S
Molecular weight
597.14
Exact mass
596.1973
XLogP
4.53
TPSA
105.73
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
41
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.448
Molar refractivity
157.56

Supplementary Information

InChIKey: JKSNJQFEXNFFFR-UHFFFAOYSA-N
Sinónimos
JKSNJQFEXNFFFR-UHFFFAOYSA-N1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-4-(3-methoxy-azetidine-1-carbonyl)-1H-benzoimidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide
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