Chemical ID: 4693495

Cc1ccc(n1c2ccsc2c3cc4ncc(c(n4n3)C)C(=O)Nc5ccsc5C(=O)O)C
Chemical ID:
4693495
Name [?]:
3-[[8-[3-(2,5-dimethylpyrrol-1-yl)-2-thienyl]-5-methyl-2,6,7-triazabicyclo[4.3.0]nona-2,4,7,9-tetraen-4-yl]carbonylamino]thiophene-2-carboxylic acid
SMILES [?]:
Cc1ccc(n1c2ccsc2c3cc4ncc(c(n4n3)C)C(=O)Nc5ccsc5C(=O)O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H19N5O3S2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:13.0741
Area:666.037
Solvation:-3.57684
Coulombic:-63.1568
Bond Count [?]
All:37
Single:25
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:477.561
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.39
LogP (Chemaxon):3.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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