Chemical ID: 4851197

CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)Cl)Cl)c3ccccc3Br
Chemical ID:
4851197
Name [?]:
2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dichlorophenyl)-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)Cl)Cl)c3ccccc3Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H15BrCl2N4OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:13.1625
Area:641.998
Solvation:-2.88744
Coulombic:-34.5779
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:486.213
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.0
LogP (Chemaxon):5.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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