Chemical ID: 6646581

Cc1c(cccc1Cl)NC(=O)C(=O)NN=Cc2cc(c(c(c2)OC)OC)OC
Chemical ID:
6646581
Name [?]:
N-(3-chloro-2-methyl-phenyl)-N'-[(3,4,5-trimethoxyphenyl)methyleneamino]oxamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)C(=O)NN=Cc2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C19H20ClN3O5/c1-11-13(20)6-5-7-14(11)22-18(24)19(25)23-21-10-12-8-15(26-2)17(28-4)16(9-12)27-3/h5-10H,1-4H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,24,28,26,5,6,4,22,18,16,2,17,7,3,21,19,20,10,12,8,15,9,14,11,13,23,27,25/E:(2,3)(8,9)(15,16)(26,27)/rA:28nCCCCCCCClNCOCONNCCCCCCCOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s19;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20ClN3O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:7.99088
Area:606.63
Solvation:-7.17488
Coulombic:-65.1093
Bond Count [?]
All:29
Single:20
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:405.832
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.22
LogP (Chemaxon):2.56

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