Chemical ID: 5558060

C=CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl)c3ccc(cc3)Cl
Chemical ID:
5558060
Name [?]:
2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitro-phenyl)-acetamide
SMILES [?]:
C=CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H15Cl2N5O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:8.4219
Area:676.02
Solvation:-8.4786
Coulombic:-46.0079
Bond Count [?]
All:32
Single:21
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:464.326
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.16
LogP (Chemaxon):5.03

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Experimental Annotations

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Descriptor Annotations

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