Chemical ID: 6650302

Cc1cccc(c1)C(=O)NCC(=O)NN=Cc2cc(ccc2OC)OC
Chemical ID:
6650302
Name [?]:
N-[(2,5-dimethoxyphenyl)methyleneaminocarbamoylmethyl]-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)NCC(=O)NN=Cc2cc(ccc2OC)OC
InChi [?]:
InChI=1/C19H21N3O4/c1-13-5-4-6-14(9-13)19(24)20-12-18(23)22-21-11-15-10-16(25-2)7-8-17(15)26-3/h4-11H,12H2,1-3H3,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,24,4,3,5,20,21,7,18,16,11,2,6,17,19,22,12,8,10,15,14,13,9,25,23/rA:26nCCCCCCCCONCCONNCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;s19;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21N3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.81016
Area:596.927
Solvation:-6.113
Coulombic:-54.8814
Bond Count [?]
All:27
Single:18
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:355.388
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.43
LogP (Chemaxon):2.13

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