Chemical ID: 7080448

Cc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
Chemical ID:
7080448
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCCOC
InChi [?]:
InChI=1/C22H21NO4/c1-14-8-10-15(11-9-14)19-18-20(24)16-6-3-4-7-17(16)27-21(18)22(25)23(19)12-5-13-26-2/h3-4,6-11,19H,5,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,14,15,24,13,16,3,7,4,6,23,25,2,5,12,17,9,8,10,19,20,22,11,21,26,18/E:(8,9)(10,11)/rA:27cCCCCCCCCCCOCCCCCCOCCONCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s19;d20;s8s20;s22;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21NO4
All Atoms:48
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.95473
Area:581.284
Solvation:-4.57737
Coulombic:-43.6766
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:3.03
LogP (Chemaxon):3.01

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Descriptor Annotations

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