Chemical ID: 4474831

Cc1ccc(cc1NC(=O)CSc2nnc(n2CC=C)Cc3ccc(cc3)OC)[N+](=O)[O-]
Chemical ID:
4474831
Name [?]:
2-[[4-allyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-5-nitro-phenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1NC(=O)CSc2nnc(n2CC=C)Cc3ccc(cc3)OC)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23N5O4S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:7.03913
Area:691.297
Solvation:-10.2433
Coulombic:-51.6643
Bond Count [?]
All:34
Single:23
Double:11
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:453.515
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.87
LogP (Chemaxon):3.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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