Chemical ID: 3874099

CCn1c(nnc1SCC(=O)N2CCCC2)c3ccc(c(c3)OC)OC
Chemical ID:
3874099
Name [?]:
2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone
SMILES [?]:
CCn1c(nnc1SCC(=O)N2CCCC2)c3ccc(c(c3)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H24N4O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.89391
Area:598.868
Solvation:-6.07779
Coulombic:-41.6381
Bond Count [?]
All:28
Single:22
Double:6
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:376.474
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.6
LogP (Chemaxon):1.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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