Chemical ID: 7011383

CCCCC(CC)CN1C(=O)C(=Cc2c(nc3ccccn3c2=O)N4CCCC4)SC1=S
Chemical ID:
7011383
Name [?]:
8-[[3-(2-ethylhexyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]-9-pyrrolidin-1-yl-6,10-diazabicyclo[4.4.0]deca-2,4,8,10-tetraen-7-one
SMILES [?]:
CCCCC(CC)CN1C(=O)C(=Cc2c(nc3ccccn3c2=O)N4CCCC4)SC1=S
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H30N4O2S2
All Atoms:62
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:14.1044
Area:656.517
Solvation:-2.30852
Coulombic:-49.2679
Bond Count [?]
All:35
Single:27
Double:8
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:470.653
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.86
LogP (Chemaxon):5.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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