Chemical ID: 7080472

CCCCCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
Chemical ID:
7080472
Name [?]:
None
SMILES [?]:
CCCCCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
InChi [?]:
InChI=1/C26H29NO5/c1-3-4-7-17-31-19-13-11-18(12-14-19)23-22-24(28)20-9-5-6-10-21(20)32-25(22)26(29)27(23)15-8-16-30-2/h5-6,9-14,23H,3-4,7-8,15-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,2,3,19,20,4,29,18,21,9,11,8,12,28,30,5,10,7,17,22,14,13,15,24,25,27,16,26,31,6,23/E:(11,12)(13,14)/rA:32cCCCCCOCCCCCCCCCOCCCCCCOCCONCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s13s25;s27;s28;s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29NO5
All Atoms:61
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.7492
Area:703.828
Solvation:-5.84655
Coulombic:-51.4406
Bond Count [?]
All:35
Single:26
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:435.512
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.42
LogP (Chemaxon):3.89

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Experimental Annotations

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Descriptor Annotations

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