Chemical ID: 7011388

CCCCC(CC)CN1C(=O)C(=Cc2c(nc3ccc(cn3c2=O)C)N4CCC(CC4)C)SC1=S
Chemical ID:
7011388
Name [?]:
8-[[3-(2-ethylhexyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]-4-methyl-9-(4-methyl-1-piperidyl)-6,10-diazabicyclo[4.4.0]deca-2,4,8,10-tetraen-7-one
SMILES [?]:
CCCCC(CC)CN1C(=O)C(=Cc2c(nc3ccc(cn3c2=O)C)N4CCC(CC4)C)SC1=S
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H36N4O2S2
All Atoms:71
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:16.0436
Area:738.368
Solvation:-2.41561
Coulombic:-49.3313
Bond Count [?]
All:38
Single:30
Double:8
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:512.732
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.87
LogP (Chemaxon):6.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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