Chemical ID: 7011389

CCCCC(CC)CN1C(=O)C(=Cc2c(nc3ccccn3c2=O)N4CC(OC(C4)C)C)SC1=S
Chemical ID:
7011389
Name [?]:
9-(2,6-dimethylmorpholin-4-yl)-8-[[3-(2-ethylhexyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]-6,10-diazabicyclo[4.4.0]deca-2,4,8,10-tetraen-7-one
SMILES [?]:
CCCCC(CC)CN1C(=O)C(=Cc2c(nc3ccccn3c2=O)N4CC(OC(C4)C)C)SC1=S
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H34N4O3S2
All Atoms:69
Heavy Atoms:35
Chiral Atoms:3
ZAP Information [?]
Total:14.6129
Area:732.388
Solvation:-3.69685
Coulombic:-57.2209
Bond Count [?]
All:38
Single:30
Double:8
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:514.705
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.87
LogP (Chemaxon):5.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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