COC1CN(C(=O)c2cccc3c2nc(C(=O)NC2CCN(C(C)C)CC2)n3Cc2cc(-c3ccc(Cl)s3)on2)C1
Name: 1-[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
SMILES: COC1CN(C(=O)c2cccc3c2nc(C(=O)NC2CCN(C(C)C)CC2)n3Cc2cc(-c3ccc(Cl)s3)on2)C1

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

Fetching details…

Involved in 2 reactions→

Extended Search

Substructure Search→Similarity Search→