Chemical ID: 5741883

COc1cc(ccc1NC(=O)CSc2nncn2c3ccccc3)[N+](=O)[O-]
Chemical ID:
5741883
Name [?]:
N-(2-methoxy-4-nitro-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES [?]:
COc1cc(ccc1NC(=O)CSc2nncn2c3ccccc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H15N5O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:5.55519
Area:598.653
Solvation:-9.41113
Coulombic:-49.2558
Bond Count [?]
All:29
Single:19
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:385.398
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.83
LogP (Chemaxon):2.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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