Chemical ID: 5444877

Cc1ccc(cc1[N+](=O)[O-])NC(=O)CSc2nnc(n2CC=C)Cc3ccccc3
Chemical ID:
5444877
Name [?]:
2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-nitro-phenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1[N+](=O)[O-])NC(=O)CSc2nnc(n2CC=C)Cc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21N5O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:8.17224
Area:654.763
Solvation:-8.19684
Coulombic:-46.3612
Bond Count [?]
All:32
Single:21
Double:11
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:423.489
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.95
LogP (Chemaxon):4.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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