Chemical ID: 4572166

COc1ccc(cc1)CN2Cc3c(ccc4c3oc(=O)c5c4ccc(c5)OC)OC2
Chemical ID:
4572166
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)CN2Cc3c(ccc4c3oc(=O)c5c4ccc(c5)OC)OC2
InChi [?]:
InChI=1/C24H21NO5/c1-27-16-5-3-15(4-6-16)12-25-13-21-22(29-14-25)10-9-19-18-8-7-17(28-2)11-20(18)24(26)30-23(19)21/h3-11H,12-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,5,7,4,8,24,23,15,14,26,9,11,30,6,3,25,22,16,21,12,13,17,19,10,20,2,27,29,18/E:(3,4)(5,6)/rA:30cCOCCCCCCCNCCCCCCCOCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;d19;s19;s16s21;d22;s23;d24;d21s25;s25;s27;s13;s10s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21NO5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:8.71225
Area:608.816
Solvation:-6.50815
Coulombic:-46.3608
Bond Count [?]
All:34
Single:24
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:403.427
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.57
LogP (Chemaxon):4.21

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Experimental Annotations

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Descriptor Annotations

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