Chemical ID: 7080455

CCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
Chemical ID:
7080455
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
InChi [?]:
InChI=1/C23H23NO5/c1-3-28-16-11-9-15(10-12-16)20-19-21(25)17-7-4-5-8-18(17)29-22(19)23(26)24(20)13-6-14-27-2/h4-5,7-12,20H,3,6,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,16,17,26,15,18,6,8,5,9,25,27,7,4,14,19,11,10,12,21,22,24,13,23,28,3,20/E:(9,10)(11,12)/rA:29cCCOCCCCCCCCCOCCCCCCOCCONCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23NO5
All Atoms:52
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.71807
Area:623.112
Solvation:-5.85974
Coulombic:-50.3379
Bond Count [?]
All:32
Single:23
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:393.432
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.93
LogP (Chemaxon):2.63

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Descriptor Annotations

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