Chemical ID: 4157775

CCC(C)OC(=O)Cn1cnc2c(c1=O)c(cs2)c3ccc(cc3)Br
Chemical ID:
4157775
Name [?]:
sec-butyl 2-[7-(4-bromophenyl)-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)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H17BrN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.197
Area:569.424
Solvation:-3.03856
Coulombic:-42.1121
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:421.309
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.79
LogP (Chemaxon):4.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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