Chemical ID: 5168688

CCC(C)OC(=O)Cn1cnc2c(c1=O)c(cs2)c3ccccc3
Chemical ID:
5168688
Name [?]:
sec-butyl 2-(5-oxo-7-phenyl-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl)acetate
SMILES [?]:
CCC(C)OC(=O)Cn1cnc2c(c1=O)c(cs2)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H18N2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.4102
Area:540.138
Solvation:-3.09326
Coulombic:-42.2935
Bond Count [?]
All:26
Single:18
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:342.413
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.99
LogP (Chemaxon):3.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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