Chemical ID: 7011391

CCCCC(CC)CN1C(=O)C(=Cc2c(nc3ccc(cn3c2=O)C)N4CC(OC(C4)C)C)SC1=S
Chemical ID:
7011391
Name [?]:
9-(2,6-dimethylmorpholin-4-yl)-8-[[3-(2-ethylhexyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]-4-methyl-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)N4CC(OC(C4)C)C)SC1=S
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H36N4O3S2
All Atoms:72
Heavy Atoms:36
Chiral Atoms:3
ZAP Information [?]
Total:15.1973
Area:753.847
Solvation:-3.64883
Coulombic:-57.1155
Bond Count [?]
All:39
Single:31
Double:8
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:528.732
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.02
LogP (Chemaxon):6.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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