Chemical ID: 4481520

Cc1cc(ccc1NC(=O)CSc2nnc(n2CC=C)c3ccc(cc3)Br)[N+](=O)[O-]
Chemical ID:
4481520
Name [?]:
2-[[4-allyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitro-phenyl)-acetamide
SMILES [?]:
Cc1cc(ccc1NC(=O)CSc2nnc(n2CC=C)c3ccc(cc3)Br)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18BrN5O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:8.65664
Area:671.941
Solvation:-8.14189
Coulombic:-46.5065
Bond Count [?]
All:32
Single:21
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:488.359
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.94
LogP (Chemaxon):4.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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