Chemical ID: 5303926

CCn1c(nnc1SCC(=O)Nc2ccc(cc2)C(=O)N)COc3ccc(cc3)C
Chemical ID:
5303926
Name [?]:
4-[2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]aminobenzamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)C(=O)N)COc3ccc(cc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23N5O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.6737
Area:681.308
Solvation:-5.35904
Coulombic:-65.7873
Bond Count [?]
All:32
Single:22
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:425.505
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.96
LogP (Chemaxon):2.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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