Chemical ID: 4563770

COc1ccc(cc1)CNC(=O)c2c(c3cccc4c3n(c2=O)CC4)O
Chemical ID:
4563770
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)CNC(=O)c2c(c3cccc4c3n(c2=O)CC4)O
InChi [?]:
InChI=1/C20H18N2O4/c1-26-14-7-5-12(6-8-14)11-21-19(24)16-18(23)15-4-2-3-13-9-10-22(17(13)15)20(16)25/h2-8,23H,9-11H2,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,17,18,16,5,7,4,8,25,24,9,6,19,3,15,13,20,14,11,22,10,21,26,12,23,2/E:(5,6)(7,8)/rA:26nCOCCCCCCCNCOCCCCCCCCNCOCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;d13;s14;s15;d16;s17;d18;d15s19;s20;s13s21;d22;s21;s19s24;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.1408
Area:549.465
Solvation:-4.59583
Coulombic:-61.3906
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:350.368
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.53
LogP (Chemaxon):2.95

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