Chemical ID: 5339020

COc1ccc(cc1)Cc2[nH]c(nn2)SCC(=O)Nc3cc(ccc3Cl)[N+](=O)[O-]
Chemical ID:
5339020
Name [?]:
N-(2-chloro-5-nitro-phenyl)-2-[[5-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
COc1ccc(cc1)Cc2[nH]c(nn2)SCC(=O)Nc3cc(ccc3Cl)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H16ClN5O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:6.8763
Area:661.558
Solvation:-9.66265
Coulombic:-54.4462
Bond Count [?]
All:31
Single:21
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:433.87
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.35
LogP (Chemaxon):2.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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