Chemical ID: 6182191

COc1cccc(c1)C(=O)NCC(=O)NN=Cc2cc(ccc2OC)OC
Chemical ID:
6182191
Name [?]:
N-[(2,5-dimethoxyphenyl)methyleneaminocarbamoylmethyl]-3-methoxy-benzamide
SMILES [?]:
COc1cccc(c1)C(=O)NCC(=O)NN=Cc2cc(ccc2OC)OC
InChi [?]:
InChI=1/C19H21N3O5/c1-25-15-6-4-5-13(9-15)19(24)20-12-18(23)22-21-11-14-10-16(26-2)7-8-17(14)27-3/h4-11H,12H2,1-3H3,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,27,25,5,6,4,21,22,8,19,17,12,7,18,3,20,23,13,9,11,16,15,14,10,2,26,24/rA:27nCOCCCCCCCONCCONNCCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s24;s20;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21N3O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.7927
Area:613.067
Solvation:-7.53397
Coulombic:-61.0364
Bond Count [?]
All:28
Single:19
Double:9
Rotors:10
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:371.387
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.91
LogP (Chemaxon):1.41

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