Chemical ID: 4221804

Cc1ccc(cc1C)NC(=O)C(=O)NN=Cc2ccc(cc2)C(=O)OC
Chemical ID:
4221804
Name [?]:
methyl 4-[[(3,4-dimethylphenyl)carbamoylformyl]aminoiminomethyl]benzoate
SMILES [?]:
Cc1ccc(cc1C)NC(=O)C(=O)NN=Cc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C19H19N3O4/c1-12-4-9-16(10-13(12)2)21-17(23)18(24)22-20-11-14-5-7-15(8-6-14)19(25)26-3/h4-11H,1-3H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,8,26,3,18,22,19,21,4,6,16,2,7,17,20,5,10,12,23,15,9,14,11,13,24,25/E:(5,6)(7,8)/rA:26nCCCCCCCCNCOCONNCCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.0029
Area:586.78
Solvation:-3.66661
Coulombic:-64.2616
Bond Count [?]
All:27
Single:17
Double:10
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:353.372
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.83
LogP (Chemaxon):3.46

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