Chemical ID: 7080463

COCCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4cc(c(c(c4)OC)OC)OC
Chemical ID:
7080463
Name [?]:
None
SMILES [?]:
COCCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4cc(c(c(c4)OC)OC)OC
InChi [?]:
InChI=1/C24H25NO7/c1-28-11-7-10-25-20(14-12-17(29-2)22(31-4)18(13-14)30-3)19-21(26)15-8-5-6-9-16(15)32-23(19)24(25)27/h5-6,8-9,12-13,20H,7,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,32,30,13,14,4,12,15,5,3,26,22,21,11,16,25,23,8,7,9,24,18,19,6,10,20,2,27,31,29,17/E:(2,3)(12,13)(17,18)(29,30)/rA:32cCOCCCNCCCOCCCCCCOCCOCCCCCCOCOCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d8s17;s6s18;d19;s7;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;s23;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H25NO7
All Atoms:57
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:7.16126
Area:657.788
Solvation:-9.28344
Coulombic:-63.2208
Bond Count [?]
All:35
Single:26
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:439.458
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:1.93
LogP (Chemaxon):1.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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