Chemical ID: 4475392

CCn1c(nnc1SCC(=O)Nc2cccc(c2Cl)Cl)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
4475392
Name [?]:
N-(2,3-dichlorophenyl)-2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2cccc(c2Cl)Cl)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H15Cl2N5O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:8.35975
Area:663.018
Solvation:-8.21571
Coulombic:-45.724
Bond Count [?]
All:31
Single:21
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:452.315
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.97
LogP (Chemaxon):3.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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