Chemical ID: 5656477

CCc1cc2c(ncnc2s1)N3CC[NH+](CC3)C(c4ccccc4)c5ccccc5
Chemical ID:
5656477
Name [?]:
2-(4-benzhydryl-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)N3CC[NH+](CC3)C(c4ccccc4)c5ccccc5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H27N4S+
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:-13.5708
Area:634.759
Solvation:-29.4398
Coulombic:7.84804
Bond Count [?]
All:34
Single:24
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:415.575
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.56
LogP (Chemaxon):6.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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