Chemical ID: 5376703

Cn1c(nnc1SCC(=O)Nc2c(c3c(s2)CCCCC3)C#N)c4ccccc4
Chemical ID:
5376703
Name [?]:
N-(10-cyano-8-thiabicyclo[5.3.0]deca-9,11-dien-9-yl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES [?]:
Cn1c(nnc1SCC(=O)Nc2c(c3c(s2)CCCCC3)C#N)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21N5OS2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.8492
Area:645.254
Solvation:-3.28215
Coulombic:-37.1769
Bond Count [?]
All:32
Single:23
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:423.557
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.97
LogP (Chemaxon):3.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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