Chemical ID: 5156336

CN(C(=O)CSc1nc(cc(n1)C(F)(F)F)c2cccs2)C34CC5CC(C3)CC(C5)C4
Chemical ID:
5156336
Name [?]:
N-(1-adamantyl)-N-methyl-2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide
SMILES [?]:
CN(C(=O)CSc1nc(cc(n1)C(F)(F)F)c2cccs2)C34CC5CC(C3)CC(C5)C4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H24F3N3OS2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.7544
Area:635.768
Solvation:-3.13979
Coulombic:-48.599
Bond Count [?]
All:35
Single:29
Double:6
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:467.573
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.56
LogP (Chemaxon):4.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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