Chemical ID: 6487048

COc1ccc(c(c1)OC)C=NNC(=O)C(=O)Nc2cccc(c2)Cl
Chemical ID:
6487048
Name [?]:
N'-(3-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyleneamino]oxamide
SMILES [?]:
COc1ccc(c(c1)OC)C=NNC(=O)C(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C17H16ClN3O4/c1-24-14-7-6-11(15(9-14)25-2)10-19-21-17(23)16(22)20-13-5-3-4-12(18)8-13/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,10,21,22,20,5,4,24,8,11,6,23,19,3,7,16,14,25,12,18,13,17,15,2,9/rA:25nCOCCCCCCOCCNNCOCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;s13;d14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16ClN3O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.57509
Area:574.842
Solvation:-4.79597
Coulombic:-58.9447
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:361.779
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.48
LogP (Chemaxon):2.99

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