Chemical ID: 5062092

COc1cc2c3cc(c(cc3c4c(c2cc1OC)CC5CCCN5C4)OC)OC
Chemical ID:
5062092
Name [?]:
None
SMILES [?]:
COc1cc2c3cc(c(cc3c4c(c2cc1OC)CC5CCCN5C4)OC)OC
InChi [?]:
InChI=1/C24H27NO4/c1-26-21-9-16-15-8-14-6-5-7-25(14)13-20(15)19-12-24(29-4)23(28-3)11-18(19)17(16)10-22(21)27-2/h9-12,14H,5-8,13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:18,1,29,27,22,21,23,19,15,4,7,10,25,20,13,14,5,6,11,12,16,3,8,9,24,17,2,28,26/rA:29cCOCCCCCCCCCCCCCCOCCCCCCNCOCOC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s11;d12;s5s13;d14;d3s15;s16;s17;s13;s19;s20;s21;s22;s20s23;s12s24;s9;s26;s8;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27NO4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:6.00919
Area:577.753
Solvation:-8.43462
Coulombic:-32.1925
Bond Count [?]
All:33
Single:26
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:393.476
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.82
LogP (Chemaxon):3.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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