名称: N-tert-butyl-N′-[(1R,2S)-1-(4-pyridylmethyl)-2-hydroxybutyl]thiourea
SMILES:
CC[C@H](O)[C@@H](Cc1ccncc1)NC(=S)NC(C)(C)CMolecular Processing
Molecular formula
C15H25N3OS
Molecular weight
295.45
Exact mass
295.1718
XLogP
2.03
TPSA
57.18
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
86.65
Supplementary Information
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