Chemical ID: 5776100

CCOC(=O)c1c2c(sc1NC(=O)c3cc4ccccc4oc3=O)CCCCCCCCCC2
Chemical ID:
5776100
Name [?]:
ethyl 14-(2-oxochromen-3-yl)carbonylamino-13-thiabicyclo[10.3.0]pentadeca-14,16-diene-15-carboxylate
SMILES [?]:
CCOC(=O)c1c2c(sc1NC(=O)c3cc4ccccc4oc3=O)CCCCCCCCCC2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H31NO5S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.6178
Area:690.707
Solvation:-4.64988
Coulombic:-60.5774
Bond Count [?]
All:37
Single:28
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:481.605
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.58
LogP (Chemaxon):6.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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