Chemical ID: 4566054

CCOc1ccc(cc1)Nc2c-3c4c(cccc4n(c2=O)C)C(=O)c5c3cccc5
Chemical ID:
4566054
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)Nc2c-3c4c(cccc4n(c2=O)C)C(=O)c5c3cccc5
InChi [?]:
InChI=1/C25H20N2O3/c1-3-30-16-13-11-15(12-14-16)26-23-22-17-7-4-5-8-18(17)24(28)19-9-6-10-20(21(19)22)27(2)25(23)29/h4-14,26H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,28,29,16,27,30,15,17,6,8,5,9,7,4,26,25,14,18,13,12,11,23,20,10,19,24,21,3/E:(11,12)(13,14)/rA:30nCCOCCCCCCNCCCCCCCCNCOCCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s13;d14;s15;d16;d13s17;s18;s11s19;d20;s19;s14;d23;s23;s12s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H20N2O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.5058
Area:582.656
Solvation:-4.06057
Coulombic:-46.365
Bond Count [?]
All:34
Single:22
Double:12
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:396.438
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.08
LogP (Chemaxon):4.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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