Chemical ID: 4491434

Cc1cc(c(cc1C)Br)NC(=O)CSc2nnc(n2CC=C)Cc3ccccc3
Chemical ID:
4491434
Name [?]:
2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromo-4,5-dimethyl-phenyl)-acetamide
SMILES [?]:
Cc1cc(c(cc1C)Br)NC(=O)CSc2nnc(n2CC=C)Cc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23BrN4OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.4025
Area:655.261
Solvation:-2.979
Coulombic:-35.1587
Bond Count [?]
All:31
Single:21
Double:10
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:471.414
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.63
LogP (Chemaxon):4.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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