Chemical ID: 5385131

CCOc1ccccc1NC(=O)CSc2nnc(n2CC=C)CC(=O)Nc3ccc(cc3)F
Chemical ID:
5385131
Name [?]:
2-[[4-allyl-5-[(4-fluorophenyl)carbamoylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethoxyphenyl)-acetamide
SMILES [?]:
CCOc1ccccc1NC(=O)CSc2nnc(n2CC=C)CC(=O)Nc3ccc(cc3)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H24FN5O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.5734
Area:719.298
Solvation:-6.40902
Coulombic:-63.5093
Bond Count [?]
All:35
Single:24
Double:11
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:469.533
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.49
LogP (Chemaxon):3.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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