COC1=NC2=C(C=C1)N=C(S2)NC(=O)C(CC3CCCC3)C4=CC=C(C=C4)S(=O)(=O)N(CCC(=O)OCC5=CC=CC=C5)CC6=CC7=CC=CC=C7O6
Nombre: benzyl 3-[1-benzofuran-2-ylmethyl-[4-[3-cyclopentyl-1-[(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-1-oxopropan-2-yl]phenyl]sulfonylamino]propanoate
SMILES: COC1=NC2=C(C=C1)N=C(S2)NC(=O)C(CC3CCCC3)C4=CC=C(C=C4)S(=O)(=O)N(CCC(=O)OCC5=CC=CC=C5)CC6=CC7=CC=CC=C7O6

Molecular Processing

Molecular formula
C40H40N4O7S2
Molecular weight
752.92
Exact mass
752.2338
XLogP
8.07
TPSA
140.93
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
15
Heavy atoms
53
Rings
7
Aromatic rings
6
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
203.02

Supplementary Information

InChIKey: RJHVBCPLTRVOOQ-UHFFFAOYSA-N
Sinónimos
SCHEMBL2660080
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