CC(C(C1=CC=CC=C1)O)N(C)C(=O)CC2=CC=C(C=C2)SC3CC3
Name: 2-(4-cyclopropylsulfanylphenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
SMILES: CC(C(C1=CC=CC=C1)O)N(C)C(=O)CC2=CC=C(C=C2)SC3CC3

Molecular Processing

Molecular formula
C21H25NO2S
Molecular weight
355.5
Exact mass
355.1606
XLogP
4.06
TPSA
40.54
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
102.66

Supplementary Information

InChIKey: KJNNLBURVJXQJB-VFNWGFHPSA-N
Synonyms
SCHEMBL1107442KJNNLBURVJXQJB-VFNWGFHPSA-N2-(4-cyclopropylsulfanyl-phenyl)-N-((1R,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl)-N-methyl-acetamide2-(4-cyclopropylsulfanylphenyl)-N-(2(R)-hydroxy-1(R)-methyl-2-phenylethyl)-N-methylacetamide
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Involved in 2 reactions→

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