Chemical ID: 5268363

Cc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCc5ccc(cc5)OC
Chemical ID:
5268363
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCc5ccc(cc5)OC
InChi [?]:
InChI=1/C27H23NO4/c1-17-7-11-19(12-8-17)24-23-25(29)21-5-3-4-6-22(21)32-26(23)27(30)28(24)16-15-18-9-13-20(31-2)14-10-18/h3-14,24H,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,14,15,13,16,3,7,26,30,4,6,27,29,24,23,2,25,5,28,12,17,9,8,10,19,20,22,11,21,31,18/E:(7,8)(9,10)(11,12)(13,14)/rA:32cCCCCCCCCCCOCCCCCCOCCONCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s19;d20;s8s20;s22;s23;s24;s25;d26;s27;d28;d25s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H23NO4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.8512
Area:655.841
Solvation:-4.54479
Coulombic:-44.4852
Bond Count [?]
All:36
Single:24
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:425.476
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.64
LogP (Chemaxon):4.9

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Experimental Annotations

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Descriptor Annotations

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