Chemical ID: 6849917

CCC(C)OC(=O)C(C)n1cnc2c(c1=O)c(cs2)c3ccc(cc3)OC(C)C
Chemical ID:
6849917
Name [?]:
sec-butyl 2-[7-(4-isopropoxyphenyl)-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(cc3)OC(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H26N2O4S
All Atoms:55
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:12.3798
Area:640.324
Solvation:-3.62832
Coulombic:-50.344
Bond Count [?]
All:31
Single:23
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:414.519
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.32
LogP (Chemaxon):4.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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