Chemical ID: 6172088

COc1cc(cc(c1OC)OC)C=NNC(=O)C(=O)Nc2ccc(cc2)Cl
Chemical ID:
6172088
Name [?]:
N'-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyleneamino]oxamide
SMILES [?]:
COc1cc(cc(c1OC)OC)C=NNC(=O)C(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C18H18ClN3O5/c1-25-14-8-11(9-15(26-2)16(14)27-3)10-20-22-18(24)17(23)21-13-6-4-12(19)5-7-13/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,12,10,23,25,22,26,4,6,13,5,24,21,3,7,8,18,16,27,14,20,15,19,17,2,11,9/E:(1,2)(4,5)(6,7)(8,9)(14,15)(25,26)/rA:27nCOCCCCCCOCOCCNNCOCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;w13;s14;s15;d16;s16;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18ClN3O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.58863
Area:595.487
Solvation:-7.29856
Coulombic:-65.0267
Bond Count [?]
All:28
Single:19
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:391.805
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.99
LogP (Chemaxon):2.74

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue