Chemical ID: 7080183

COCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(c(c4)OC)OCc5ccccc5
Chemical ID:
7080183
Name [?]:
None
SMILES [?]:
COCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccc(c(c4)OC)OCc5ccccc5
InChi [?]:
InChI=1/C28H25NO6/c1-32-15-14-29-25(24-26(30)20-10-6-7-11-21(20)35-27(24)28(29)31)19-12-13-22(23(16-19)33-2)34-17-18-8-4-3-5-9-18/h3-13,16,25H,14-15,17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,33,32,34,12,13,31,35,11,14,21,22,4,3,25,29,30,20,10,15,23,24,7,6,8,17,18,5,9,19,2,26,28,16/E:(4,5)(8,9)/rA:35cCOCCNCCCOCCCCCCOCCOCCCCCCOCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;d7s16;s5s17;d18;s6;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H25NO6
All Atoms:60
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:9.85765
Area:706.609
Solvation:-7.80757
Coulombic:-58.706
Bond Count [?]
All:39
Single:27
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:471.501
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.5
LogP (Chemaxon):3.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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