Chemical ID: 5301567

CC(=O)Nc1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)c3ccccc3Cl
Chemical ID:
5301567
Name [?]:
N-[4-[2-[[4-allyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)c3ccccc3Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H20ClN5O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.444
Area:678.594
Solvation:-4.52087
Coulombic:-53.6328
Bond Count [?]
All:32
Single:21
Double:11
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:441.935
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.6
LogP (Chemaxon):3.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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