Chemical ID: 3845455

c1ccc(cc1)Cc2nnc(n2Cc3ccccc3)SCC(=O)N4CCCc5c4cccc5
Chemical ID:
3845455
Name [?]:
2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILES [?]:
c1ccc(cc1)Cc2nnc(n2Cc3ccccc3)SCC(=O)N4CCCc5c4cccc5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H26N4OS
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:13.5784
Area:683.456
Solvation:-3.50799
Coulombic:-30.9649
Bond Count [?]
All:37
Single:25
Double:12
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:454.588
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.4
LogP (Chemaxon):5.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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