Chemical ID: 4157774

CCCOC(=O)Cn1cnc2c(c1=O)c(cs2)c3ccc(cc3)Br
Chemical ID:
4157774
Name [?]:
propyl 2-[7-(4-bromophenyl)-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]acetate
SMILES [?]:
CCCOC(=O)Cn1cnc2c(c1=O)c(cs2)c3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H15BrN2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.7464
Area:554.753
Solvation:-3.12238
Coulombic:-41.9128
Bond Count [?]
All:26
Single:18
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:407.283
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.33
LogP (Chemaxon):3.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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