Chemical ID: 6649691

COc1ccc2c(c1)sc(c2Cl)C(=O)NN=Cc3ccc4c(c3)OCCO4
Chemical ID:
6649691
Name [?]:
3-chloro-N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylmethyleneamino)-6-methoxy-benzothiophene-2-carboxamide
SMILES [?]:
COc1ccc2c(c1)sc(c2Cl)C(=O)NN=Cc3ccc4c(c3)OCCO4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H15ClN2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.70476
Area:581.516
Solvation:-5.83316
Coulombic:-42.9684
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:402.852
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.43
LogP (Chemaxon):3.62

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Experimental Annotations

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Descriptor Annotations

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