Chemical ID: 5138788

Cc1cc(ccc1NC(=O)CSc2nnc(n2C)c3ccc(cc3)OC)[N+](=O)[O-]
Chemical ID:
5138788
Name [?]:
2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitro-phenyl)-acetamide
SMILES [?]:
Cc1cc(ccc1NC(=O)CSc2nnc(n2C)c3ccc(cc3)OC)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H19N5O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:6.46672
Area:642.495
Solvation:-9.59565
Coulombic:-50.9218
Bond Count [?]
All:31
Single:21
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:413.451
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.44
LogP (Chemaxon):2.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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