Chemical ID: 4804172

COc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCc5ccccc5
Chemical ID:
4804172
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCc5ccccc5
InChi [?]:
InChI=1/C26H21NO4/c1-30-19-13-11-18(12-14-19)23-22-24(28)20-9-5-6-10-21(20)31-25(22)26(29)27(23)16-15-17-7-3-2-4-8-17/h2-14,23H,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,29,28,30,15,16,27,31,14,17,5,7,4,8,25,24,26,6,3,13,18,10,9,11,20,21,23,12,22,2,19/E:(3,4)(7,8)(11,12)(13,14)/rA:31cCOCCCCCCCCCOCCCCCCOCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s20;d21;s9s21;s23;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H21NO4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.2183
Area:632.54
Solvation:-4.5952
Coulombic:-44.6009
Bond Count [?]
All:35
Single:23
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:411.449
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.2
LogP (Chemaxon):4.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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