Chemical ID: 6185696

CC(C)Sc1nnc(n1c2ccccc2)CNC(=O)C34CC5CC(C3)CC(C5)C4
Chemical ID:
6185696
Name [?]:
N-[(5-isopropylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
SMILES [?]:
CC(C)Sc1nnc(n1c2ccccc2)CNC(=O)C34CC5CC(C3)CC(C5)C4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H30N4OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.3033
Area:615.816
Solvation:-2.09208
Coulombic:-36.0264
Bond Count [?]
All:33
Single:27
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:410.577
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.69
LogP (Chemaxon):3.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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