Chemical ID: 5171069

CCC(C)OC(=O)Cn1cnc2c(c1=O)c(cs2)c3ccc(cc3)OCC
Chemical ID:
5171069
Name [?]:
sec-butyl 2-[7-(4-ethoxyphenyl)-5-oxo-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)c3ccc(cc3)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H22N2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.7087
Area:605.277
Solvation:-4.42323
Coulombic:-48.6794
Bond Count [?]
All:29
Single:21
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:386.466
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.33
LogP (Chemaxon):3.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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