Name: (4-chlorophenyl) N-[4-(2-chloroethylsulfanylmethyl)cyclohexyl]-N-methylcarbamate
SMILES:
CN(C(=O)Oc1ccc(Cl)cc1)[C@H]1CC[C@H](CSCCCl)CC1Molecular Processing
Molecular formula
C17H23Cl2NO2S
Molecular weight
376.35
Exact mass
375.0827
XLogP
5.3
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
99.03
Supplementary Information
InChIKey: FSLRDSLDZYNJJK-UHFFFAOYSA-N
Synonyme
SCHEMBL4804302SCHEMBL4804310FSLRDSLDZYNJJK-CTYIDZIISA-Ntrans-[4-(2-Chloro-ethylsulfanylmethyl)-cyclohexyl]-methyl-carbamic acid 4-chloro-phenyl ester
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