Chemical ID: 5777761

CCOC(=O)c1c(n(c2c1cc(c3c2cccc3)O)Cc4ccc(c(c4)OC)OC)C
Chemical ID:
5777761
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(n(c2c1cc(c3c2cccc3)O)Cc4ccc(c(c4)OC)OC)C
InChi [?]:
InChI=1/C25H25NO5/c1-5-31-25(28)23-15(2)26(14-16-10-11-21(29-3)22(12-16)30-4)24-18-9-7-6-8-17(18)20(27)13-19(23)24/h6-13,27H,5,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,30,28,2,17,16,18,15,22,23,26,11,20,7,21,13,14,10,12,24,25,6,9,4,8,19,5,29,27,3/rA:31nCCOCOCCNCCCCCCCCCCOCCCCCCCOCOCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6s9;d10;s11;d12;d9s13;s14;d15;s16;s13d17;s12;s8;s20;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H25NO5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:8.86237
Area:618.312
Solvation:-6.59542
Coulombic:-56.6193
Bond Count [?]
All:34
Single:24
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:419.47
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.12
LogP (Chemaxon):4.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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