Chemical ID: 5401781

CC(C)c1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)CC(=O)Nc3ccc(cc3)F
Chemical ID:
5401781
Name [?]:
2-[[4-allyl-5-[(4-fluorophenyl)carbamoylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-isopropylphenyl)-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)CC(=O)Nc3ccc(cc3)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H26FN5O2S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.516
Area:724.974
Solvation:-5.60832
Coulombic:-56.1526
Bond Count [?]
All:35
Single:24
Double:11
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:467.56
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.55
LogP (Chemaxon):4.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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