Nombre: 2-[(4-[[(3R)-3-(2-hydroxyethyl)-7-thia-9,11-diazatricyclo[6.4.0.0[2,6]]dodeca-1(8),2(6),9,11-tetraen-12-yl]oxy]cyclohexyl)(methyl)amino]-1-(pyrrolidin-1-yl)ethan-1-one
SMILES:
CN(CC(=O)N1CCCC1)C1CCC(Oc2ncnc3sc4c(c23)[C@@H](CCO)CC4)CC1Molecular Processing
Molecular formula
C24H34N4O3S
Molecular weight
458.63
Exact mass
458.2352
XLogP
3.35
TPSA
78.79
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
32
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.708
Molar refractivity
125.3
Supplementary Information
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