Chemical ID: 7534121

COc1ccc(cc1)c2[nH]c(nn2)SCC(=O)Nc3ccc(cc3)C45CC6CC(C4)CC(C6)C5
Chemical ID:
7534121
Name [?]:
N-[4-(1-adamantyl)phenyl]-2-[[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
COc1ccc(cc1)c2[nH]c(nn2)SCC(=O)Nc3ccc(cc3)C45CC6CC(C4)CC(C6)C5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H30N4O2S
All Atoms:64
Heavy Atoms:34
Chiral Atoms:None
ZAP Information [?]
Total:13.4026
Area:707.999
Solvation:-4.29734
Coulombic:-45.8834
Bond Count [?]
All:39
Single:30
Double:9
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:7.11
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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