Chemical ID: 6503697

CCc1cc2c(ncnc2s1)[NH+]3CC[NH+](CC3)CC=Cc4ccccc4
Chemical ID:
6503697
Name [?]:
2-(4-cinnamyl-2,3,5,6-tetrahydropyrazin-1-yl)-8-ethyl-7-thia-3,5-diazabicyclo[4.3.0]nona-2,4,8,10-tetraene
SMILES [?]:
CCc1cc2c(ncnc2s1)[NH+]3CC[NH+](CC3)CC=Cc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H26N4S+2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-90.0711
Area:595.373
Solvation:-104.955
Coulombic:104.157
Bond Count [?]
All:29
Single:21
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:366.524
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.59
LogP (Chemaxon):4.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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