Chemical ID: 5521894

Cn1c(nnc1SCC(=O)Nc2c(c3c(s2)CCC3)C(=O)N)c4ccccc4
Chemical ID:
5521894
Name [?]:
7-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino-6-thiabicyclo[3.3.0]octa-7,9-diene-8-carboxamide
SMILES [?]:
Cn1c(nnc1SCC(=O)Nc2c(c3c(s2)CCC3)C(=O)N)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H19N5O2S2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.6755
Area:627.171
Solvation:-4.00374
Coulombic:-58.5344
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:413.519
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:3.0
LogP (Chemaxon):2.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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