Chemical ID: 4582676

COc1ccc(cc1)CCN2Cc3c(ccc4c3oc(=O)cc4c5ccc(cc5)OC)OC2
Chemical ID:
4582676
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)CCN2Cc3c(ccc4c3oc(=O)cc4c5ccc(cc5)OC)OC2
InChi [?]:
InChI=1/C27H25NO5/c1-30-20-7-3-18(4-8-20)13-14-28-16-24-25(32-17-28)12-11-22-23(15-26(29)33-27(22)24)19-5-9-21(31-2)10-6-19/h3-12,15H,13-14,16-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,5,7,25,29,4,8,26,28,16,15,9,10,22,12,33,6,24,3,27,17,23,13,14,20,18,11,21,2,30,32,19/E:(3,4)(5,6)(7,8)(9,10)/rA:33cCOCCCCCCCCNCCCCCCCOCOCCCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;d20;s20;s17d22;s23;s24;d25;s26;d27;d24s28;s27;s30;s14;s11s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H25NO5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:10.3278
Area:681.609
Solvation:-6.71242
Coulombic:-46.7642
Bond Count [?]
All:37
Single:26
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:443.491
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.92
LogP (Chemaxon):5.14

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue