Chemical ID: 5459936

COC(=O)CSc1nnc(n1C2CCCCC2)Cc3cccc4c3cccc4
Chemical ID:
5459936
Name [?]:
methyl 2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
SMILES [?]:
COC(=O)CSc1nnc(n1C2CCCCC2)Cc3cccc4c3cccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H25N3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.0572
Area:603.527
Solvation:-3.031
Coulombic:-32.4771
Bond Count [?]
All:31
Single:23
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:395.519
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.4
LogP (Chemaxon):4.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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