이름: 2-(2-methyl-3-methyl sulfanyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-1,2,3,4-tetrahydroisoquinoline
SMILES:
CSc1c(C)[nH]c2c(N3CCc4ccccc4C3)nccc12Molecular Processing
Molecular formula
C18H19N3S
Molecular weight
309.44
Exact mass
309.13
XLogP
4.16
TPSA
31.92
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
93.81
Supplementary Information
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