Chemical ID: 7080239

CCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCOC)C
Chemical ID:
7080239
Name [?]:
None
SMILES [?]:
CCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCOC)C
InChi [?]:
InChI=1/C23H23NO5/c1-4-28-16-7-5-6-15(13-16)20-19-21(25)17-12-14(2)8-9-18(17)29-22(19)23(26)24(20)10-11-27-3/h5-9,12-13,20H,4,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,28,2,6,7,5,17,18,25,26,15,9,16,8,4,14,19,11,10,12,21,22,24,13,23,27,3,20/rA:29cCCOCCCCCCCCCOCCCCCCOCCONCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;s25;s26;s27;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23NO5
All Atoms:52
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.86587
Area:611.556
Solvation:-5.42303
Coulombic:-50.3684
Bond Count [?]
All:32
Single:23
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:393.432
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.0
LogP (Chemaxon):3.05

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Descriptor Annotations

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