Chemical ID: 5373539

CCc1nnc2n1nc(s2)c3ccc(c(c3)NC(=O)COc4ccccc4)C
Chemical ID:
5373539
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-phenoxy-acetamide
SMILES [?]:
CCc1nnc2n1nc(s2)c3ccc(c(c3)NC(=O)COc4ccccc4)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H19N5O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.1692
Area:624.801
Solvation:-4.45078
Coulombic:-40.3514
Bond Count [?]
All:31
Single:21
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:393.463
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.45
LogP (Chemaxon):3.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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