Chemical ID: 4161707

CCOC(=O)Cn1cnc2c(c1=O)c(cs2)c3ccc(c(c3)OC)OC
Chemical ID:
4161707
Name [?]:
ethyl 2-[7-(3,4-dimethoxyphenyl)-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]acetate
SMILES [?]:
CCOC(=O)Cn1cnc2c(c1=O)c(cs2)c3ccc(c(c3)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H18N2O5S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.62939
Area:569.305
Solvation:-6.60324
Coulombic:-54.0014
Bond Count [?]
All:28
Single:20
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:374.412
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.74
LogP (Chemaxon):2.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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