Chemical ID: 4984536

CC(C)(C)c1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3ccc4c(c3)OCO4
Chemical ID:
4984536
Name [?]:
[2-methoxy-4-[[2-(4-tert-butylphenoxy)acetyl]aminoiminomethyl]phenyl] benzo[1,3]dioxole-5-carboxylate
SMILES [?]:
CC(C)(C)c1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3ccc4c(c3)OCO4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H28N2O7
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:10.3599
Area:775.608
Solvation:-9.03032
Coulombic:-69.284
Bond Count [?]
All:40
Single:28
Double:12
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:504.531
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:6.4
LogP (Chemaxon):5.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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