Chemical ID: 5925177

Cc1ccc(cc1)n2c(nnc2SCCCC(=O)N3CCC4(CC3)OCCO4)c5cccc(c5)OC
Chemical ID:
5925177
Name [?]:
1-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-4-[[5-(3-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one
SMILES [?]:
Cc1ccc(cc1)n2c(nnc2SCCCC(=O)N3CCC4(CC3)OCCO4)c5cccc(c5)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H32N4O4S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:13.1058
Area:763.072
Solvation:-5.97099
Coulombic:-53.3288
Bond Count [?]
All:40
Single:31
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:508.634
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.82
LogP (Chemaxon):4.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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