이름: [4-[[benzyl-[[3,5-bis(trifluoromethyl)benzoyl]sulfamoyl]amino]methyl]cyclohexyl]methyl N-phenylcarbamate
SMILES:
C1CC(CCC1CN(CC2=CC=CC=C2)S(=O)(=O)NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)COC(=O)NC4=CC=CC=C4Molecular Processing
Molecular formula
C31H31F6N3O5S
Molecular weight
671.66
Exact mass
671.1889
XLogP
7.26
TPSA
104.81
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
46
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.355
Molar refractivity
156.54
Supplementary Information
InChIKey: FMQNDHZBSCAAAS-UHFFFAOYSA-N
동의어
(4-{[benzyl({[3,5-bis(trifluoromethyl)benzoyl]amino}sulfonyl)amino]methyl}cyclohexyl)methyl phenylcarbamateSCHEMBL4286735FMQNDHZBSCAAAS-YHBQERECSA-N
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