Chemical ID: 4542038

CC1=NN(C(=O)C1=Cc2cc(c(c(c2)Cl)OCCCOc3ccccc3)OC)c4ccccc4
Chemical ID:
4542038
Name [?]:
4-[[3-chloro-5-methoxy-4-(3-phenoxypropoxy)phenyl]methylene]-5-methyl-2-phenyl-pyrazol-3-one
SMILES [?]:
CC1=NN(C(=O)C1=Cc2cc(c(c(c2)Cl)OCCCOc3ccccc3)OC)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H25ClN2O4
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:11.8423
Area:726.254
Solvation:-6.31408
Coulombic:-40.9868
Bond Count [?]
All:37
Single:25
Double:12
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:476.951
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:6.03
LogP (Chemaxon):5.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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