Chemical ID: 6818105

c1ccc(c(c1)C2c3c(n[nH]c3OC(=C2C#N)N)c4cccs4)C(=O)[O-]
Chemical ID:
6818105
Name [?]:
2-[4-amino-3-cyano-9-(2-thienyl)-5-oxa-7,8-diazabicyclo[4.3.0]nona-3,8,10-trien-2-yl]benzoate
SMILES [?]:
c1ccc(c(c1)C2c3c(n[nH]c3OC(=C2C#N)N)c4cccs4)C(=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H11N4O3S-
All Atoms:37
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:-28.2178
Area:488.158
Solvation:-40.4218
Coulombic:-42.3123
Bond Count [?]
All:29
Single:19
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:363.371
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.49
LogP (Chemaxon):2.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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