Chemical ID: 4828030

COc1ccc(cc1)C(=O)C2C3C(C4N2C=Cc5c4cccc5)C(=O)NC3=O
Chemical ID:
4828030
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C(=O)C2C3C(C4N2C=Cc5c4cccc5)C(=O)NC3=O
InChi [?]:
InChI=1/C22H18N2O4/c1-28-14-8-6-13(7-9-14)20(25)19-17-16(21(26)23-22(17)27)18-15-5-3-2-4-12(15)10-11-24(18)19/h2-11,16-19H,1H3,(H,23,26,27)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,20,5,7,4,8,17,16,18,6,3,19,13,12,14,11,9,24,27,26,15,10,25,28,2/E:(6,7)(8,9)/rA:28cCOCCCCCCCOCCCCNCCCCCCCCCONCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s11s14;s15;d16;s17;s14s18;d19;s20;d21;d18s22;s13;d24;s24;s12s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18N2O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:5
ZAP Information [?]
Total:7.7852
Area:531.957
Solvation:-5.51372
Coulombic:-49.507
Bond Count [?]
All:32
Single:22
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:374.389
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.3
LogP (Chemaxon):1.7

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