Chemical ID: 6877185

CCC(C)OC(=O)C(C)n1cnc2c(c1=O)c(cs2)c3ccc(c(c3)OC)OC
Chemical ID:
6877185
Name [?]:
sec-butyl 2-[7-(3,4-dimethoxyphenyl)-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]propanoate
SMILES [?]:
CCC(C)OC(=O)C(C)n1cnc2c(c1=O)c(cs2)c3ccc(c(c3)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H24N2O5S
All Atoms:53
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:9.64931
Area:627.398
Solvation:-6.03563
Coulombic:-55.7565
Bond Count [?]
All:31
Single:23
Double:8
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:416.492
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.08
LogP (Chemaxon):3.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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