Chemical ID: 4502175

CCOc1cc(ccc1OCc2nnc(n2C)SCC(=O)Nc3cccc(c3)Br)C
Chemical ID:
4502175
Name [?]:
N-(3-bromophenyl)-2-[[5-[(2-ethoxy-4-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCOc1cc(ccc1OCc2nnc(n2C)SCC(=O)Nc3cccc(c3)Br)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23BrN4O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.2375
Area:703.644
Solvation:-6.35363
Coulombic:-46.9984
Bond Count [?]
All:32
Single:23
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:491.402
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.52
LogP (Chemaxon):4.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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