Chemical ID: 4805250

CC(C)c1ccc(cc1)C=Nn2c(nnc2S)c3c4c([nH]n3)CCC4
Chemical ID:
4805250
Name [?]:
5-(6,7-diazabicyclo[3.3.0]octa-7,9-dien-8-yl)-4-[(4-isopropylphenyl)methyleneamino]-1,2,4-triazole-3-thiol
SMILES [?]:
CC(C)c1ccc(cc1)C=Nn2c(nnc2S)c3c4c([nH]n3)CCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H20N6S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.7715
Area:526.105
Solvation:-2.38116
Coulombic:-24.046
Bond Count [?]
All:28
Single:20
Double:8
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:352.458
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.6
LogP (Chemaxon):4.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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