Chemical ID: 5977869

Cc1ccc(cc1)n2c(nnc2SCc3cccc(c3)C)CNC(=O)c4ccc(cc4Cl)[N+](=O)[O-]
Chemical ID:
5977869
Name [?]:
2-chloro-N-[[5-(m-tolylmethylsulfanyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]methyl]-4-nitro-benzamide
SMILES [?]:
Cc1ccc(cc1)n2c(nnc2SCc3cccc(c3)C)CNC(=O)c4ccc(cc4Cl)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H22ClN5O3S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:10.1721
Area:766.243
Solvation:-8.98393
Coulombic:-45.9524
Bond Count [?]
All:38
Single:25
Double:13
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:507.993
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:7.51
LogP (Chemaxon):5.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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