Chemical ID: 5128239

CC(C(=O)Nc1ccc(cc1)[N+](=O)[O-])Sc2nnc(n2c3ccccc3)C4CCCCC4
Chemical ID:
5128239
Name [?]:
2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)-propanamide
SMILES [?]:
CC(C(=O)Nc1ccc(cc1)[N+](=O)[O-])Sc2nnc(n2c3ccccc3)C4CCCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H25N5O3S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:9.11952
Area:687.612
Solvation:-8.07077
Coulombic:-45.6968
Bond Count [?]
All:35
Single:25
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:451.543
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.35
LogP (Chemaxon):5.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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