Chemical ID: 5824856

CCCCC1=NN2C(=N)C(=Cc3cc(c(c(c3)Cl)OCc4ccc(cc4)F)OC)C(=O)N=C2S1
Chemical ID:
5824856
Name [?]:
8-butyl-3-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methylene]-2-imino-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
SMILES [?]:
CCCCC1=NN2C(=N)C(=Cc3cc(c(c(c3)Cl)OCc4ccc(cc4)F)OC)C(=O)N=C2S1
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H22ClFN4O3S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.1391
Area:717.885
Solvation:-5.80807
Coulombic:-54.8977
Bond Count [?]
All:37
Single:26
Double:11
Rotors:8
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:500.974
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.75
LogP (Chemaxon):6.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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