Chemical ID: 4456466

CCC(C(=O)Nc1ccc(cc1)Br)Sc2nnc(n2C)Cc3cccc4c3cccc4
Chemical ID:
4456466
Name [?]:
N-(4-bromophenyl)-2-[[4-methyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide
SMILES [?]:
CCC(C(=O)Nc1ccc(cc1)Br)Sc2nnc(n2C)Cc3cccc4c3cccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H23BrN4OS
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:13.3711
Area:669.358
Solvation:-3.36287
Coulombic:-34.8894
Bond Count [?]
All:34
Single:23
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:495.436
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.06
LogP (Chemaxon):5.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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