Chemical ID: 6174307

CCc1ccccc1NC(=O)C(=O)NN=Cc2ccc(cc2)C(=O)OC
Chemical ID:
6174307
Name [?]:
methyl 4-[[(2-ethylphenyl)carbamoylformyl]aminoiminomethyl]benzoate
SMILES [?]:
CCc1ccccc1NC(=O)C(=O)NN=Cc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C19H19N3O4/c1-3-14-6-4-5-7-16(14)21-17(23)18(24)22-20-12-13-8-10-15(11-9-13)19(25)26-2/h4-12H,3H2,1-2H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,26,2,5,6,4,7,18,22,19,21,16,17,3,20,8,10,12,23,15,9,14,11,13,24,25/E:(8,9)(10,11)/rA:26nCCCCCCCCNCOCONNCCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;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:11.144
Area:588.642
Solvation:-3.57204
Coulombic:-65.0172
Bond Count [?]
All:27
Single:17
Double:10
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:353.372
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.65
LogP (Chemaxon):2.74

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