Chemical ID: 7080500

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccccc4)CCCOC
Chemical ID:
7080500
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccccc4)CCCOC
InChi [?]:
InChI=1/C22H21NO4/c1-14-9-10-17-16(13-14)20(24)18-19(15-7-4-3-5-8-15)23(11-6-12-26-2)22(25)21(18)27-17/h3-5,7-10,13,19H,6,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,20,19,21,24,18,22,3,4,23,25,7,2,17,6,5,10,16,8,11,13,15,9,14,26,12/E:(4,5)(7,8)/rA:27cCCCCCCCCOCCOCONCCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s15;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21NO4
All Atoms:48
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.91698
Area:580.607
Solvation:-4.59819
Coulombic:-43.7108
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:363.406
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.02
LogP (Chemaxon):3.01

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Descriptor Annotations

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