Chemical ID: 5776752

COc1ccc(cc1)c2cn3c(csc3n2)CC(=O)O
Chemical ID:
5776752
Name [?]:
2-[7-(4-methoxyphenyl)-4-thia-1,6-diazabicyclo[3.3.0]octa-2,5,7-trien-2-yl]acetic acid
SMILES [?]:
COc1ccc(cc1)c2cn3c(csc3n2)CC(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H12N2O3S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.5049
Area:473.499
Solvation:-4.33257
Coulombic:-44.3872
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:288.323
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.61
LogP (Chemaxon):2.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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