Chemical ID: 6133225

CCn1c(nnc1SCC(=O)Nc2ccc(cc2)Br)c3ccccc3Br
Chemical ID:
6133225
Name [?]:
N-(4-bromophenyl)-2-[[5-(2-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)Br)c3ccccc3Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H16Br2N4OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.4266
Area:609.146
Solvation:-2.80204
Coulombic:-34.233
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:496.22
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.55
LogP (Chemaxon):5.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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