Chemical ID: 3848151

COC(=O)c1ccccc1NC(=O)CSc2nnc(n2C3CCCCC3)Cc4ccccc4
Chemical ID:
3848151
Name [?]:
methyl 2-[2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]aminobenzoate
SMILES [?]:
COC(=O)c1ccccc1NC(=O)CSc2nnc(n2C3CCCCC3)Cc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H28N4O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:13.8816
Area:698.878
Solvation:-3.59034
Coulombic:-54.201
Bond Count [?]
All:36
Single:26
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:464.581
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.54
LogP (Chemaxon):4.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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