Chemical ID: 5791308

CCOc1cc(ccc1OCC=C)C=NNC(=O)C(=O)Nc2cc(ccc2C)Cl
Chemical ID:
5791308
Name [?]:
N-[(4-allyloxy-3-ethoxy-phenyl)methyleneamino]-N'-(5-chloro-2-methyl-phenyl)-oxamide
SMILES [?]:
CCOc1cc(ccc1OCC=C)C=NNC(=O)C(=O)Nc2cc(ccc2C)Cl
InChi [?]:
InChI=1/C21H22ClN3O4/c1-4-10-29-18-9-7-15(11-19(18)28-5-2)13-23-25-21(27)20(26)24-17-12-16(22)8-6-14(17)3/h4,6-9,11-13H,1,5,10H2,2-3H3,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:13,1,28,12,2,26,7,25,8,11,5,23,14,27,6,24,22,9,4,19,17,29,15,21,16,20,18,3,10/rA:29nCCOCCCCCCOCCCCNNCOCONCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s6;w14;s15;s16;d17;s17;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22ClN3O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.7072
Area:672.663
Solvation:-6.10937
Coulombic:-60.1537
Bond Count [?]
All:30
Single:20
Double:10
Rotors:11
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:415.87
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.47
LogP (Chemaxon):3.89

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