Chemical ID: 5406242

CCc1nnc2n1nc(s2)c3ccc(c(c3)NC(=O)COc4ccc(cc4)C)C
Chemical ID:
5406242
Name [?]:
N-[5-(6-ethyl-2-thia-4,5,7,8-tetrazabicyclo[3.3.0]octa-3,6,8-trien-3-yl)-2-methyl-phenyl]-2-(4-methylphenoxy)-acetamide
SMILES [?]:
CCc1nnc2n1nc(s2)c3ccc(c(c3)NC(=O)COc4ccc(cc4)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21N5O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.7526
Area:647.846
Solvation:-4.44356
Coulombic:-40.1105
Bond Count [?]
All:32
Single:22
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:407.49
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.88
LogP (Chemaxon):3.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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