Chemical ID: 6646839

Cc1c(cccc1Cl)NC(=O)C(=O)NN=Cc2ccc(c(c2)OC)OC
Chemical ID:
6646839
Name [?]:
N-(3-chloro-2-methyl-phenyl)-N'-[(3,4-dimethoxyphenyl)methyleneamino]oxamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)C(=O)NN=Cc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C18H18ClN3O4/c1-11-13(19)5-4-6-14(11)21-17(23)18(24)22-20-10-12-7-8-15(25-2)16(9-12)26-3/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,26,24,5,6,4,18,19,22,16,2,17,7,3,20,21,10,12,8,15,9,14,11,13,25,23/rA:26nCCCCCCCClNCOCONNCCCCCCCOCOC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18ClN3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.6013
Area:590.263
Solvation:-6.15526
Coulombic:-58.0833
Bond Count [?]
All:27
Single:18
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:375.806
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.43
LogP (Chemaxon):2.81

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