Chemical ID: 7004856

CCOC(=O)CN1Cc2c3c(c(oc3c4ccccc4c2OC1)C)C(=O)OCC
Chemical ID:
7004856
Name [?]:
None
SMILES [?]:
CCOC(=O)CN1Cc2c3c(c(oc3c4ccccc4c2OC1)C)C(=O)OCC
InChi [?]:
InChI=1/C22H23NO6/c1-4-26-17(24)11-23-10-16-19-18(22(25)27-5-2)13(3)29-21(19)15-9-7-6-8-14(15)20(16)28-12-23/h6-9H,4-5,10-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,24,2,28,18,17,19,16,8,6,23,12,20,15,9,4,11,10,21,14,25,7,5,26,3,27,22,13/rA:29cCCOCOCNCCCCCOCCCCCCCCOCCCOOCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;d11;s12;d10s13;s14;s15;d16;s17;d18;d15s19;d9s20;s21;s7s22;s12;s11;d25;s25;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23NO6
All Atoms:52
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.0424
Area:612.173
Solvation:-5.26192
Coulombic:-57.4474
Bond Count [?]
All:32
Single:24
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:397.421
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.56
LogP (Chemaxon):3.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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