Chemical ID: 4456062

CCn1c(nnc1SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])C(C(C)C)NC(=O)c3ccccc3
Chemical ID:
4456062
Name [?]:
N-[1-[4-ethyl-5-[(4-nitrophenyl)carbamoylmethylsulfanyl]-1,2,4-triazol-3-yl]-2-methyl-propyl]benzamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])C(C(C)C)NC(=O)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H26N6O4S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:9.48535
Area:740.965
Solvation:-9.03878
Coulombic:-67.2549
Bond Count [?]
All:36
Single:25
Double:11
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:482.557
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:5.08
LogP (Chemaxon):3.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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