Chemical ID: 6480201

Cc1cccn2c1nc(c2c3nnc(n3C)SCC=C)C
Chemical ID:
6480201
Name [?]:
9-(5-allylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-5,8-dimethyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
Cc1cccn2c1nc(c2c3nnc(n3C)SCC=C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H17N5S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.5477
Area:494.982
Solvation:-1.82686
Coulombic:-26.13
Bond Count [?]
All:23
Single:16
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:299.395
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.77
LogP (Chemaxon):2.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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