Chemical ID: 5467583

C=CCn1c(nnc1SCC(=O)N2CCCCCC2)c3ccc(cc3)Cl
Chemical ID:
5467583
Name [?]:
2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-azepan-1-yl-ethanone
SMILES [?]:
C=CCn1c(nnc1SCC(=O)N2CCCCCC2)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H23ClN4OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.5304
Area:602.636
Solvation:-2.53551
Coulombic:-31.7788
Bond Count [?]
All:28
Single:21
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:390.931
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.57
LogP (Chemaxon):3.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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