Chemical ID: 5797590

Cc1cccc(c1NC(=O)C(=O)NN=Cc2ccc(cc2)C(=O)OC)C
Chemical ID:
5797590
Name [?]:
methyl 4-[[(2,6-dimethylphenyl)carbamoylformyl]aminoiminomethyl]benzoate
SMILES [?]:
Cc1cccc(c1NC(=O)C(=O)NN=Cc2ccc(cc2)C(=O)OC)C
InChi [?]:
InChI=1/C19H19N3O4/c1-12-5-4-6-13(2)16(12)21-17(23)18(24)22-20-11-14-7-9-15(10-8-14)19(25)26-3/h4-11H,1-3H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,26,25,4,3,5,17,21,18,20,15,2,6,16,19,7,9,11,22,14,8,13,10,12,23,24/E:(1,2)(5,6)(7,8)(9,10)(12,13)/rA:26nCCCCCCCNCOCONNCCCCCCCCOOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s24;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19N3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.9484
Area:586.079
Solvation:-3.70355
Coulombic:-64.4169
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:3.41
LogP (Chemaxon):2.16

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Descriptor Annotations

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