Chemical ID: 7080219

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)Oc5ccccc5)CCOC
Chemical ID:
7080219
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)Oc5ccccc5)CCOC
InChi [?]:
InChI=1/C27H23NO5/c1-17-11-12-22-21(15-17)25(29)23-24(28(13-14-31-2)27(30)26(23)33-22)18-7-6-10-20(16-18)32-19-8-4-3-5-9-19/h3-12,15-16,24H,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,27,26,28,19,18,25,29,20,3,4,30,31,7,22,2,17,24,21,6,5,10,16,8,11,13,15,9,14,32,23,12/E:(4,5)(8,9)/rA:33cCCCCCCCCOCCOCONCCCCCCCOCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s24;d25;s26;d27;d24s28;s15;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H23NO5
All Atoms:56
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:11.421
Area:661.465
Solvation:-5.1156
Coulombic:-52.1349
Bond Count [?]
All:37
Single:25
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:441.475
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.15
LogP (Chemaxon):4.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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