Chemical ID: 6171980

Cc1ccc(cc1)NC(=O)C(=O)NN=Cc2ccc(cc2)C(=O)OC
Chemical ID:
6171980
Name [?]:
methyl 4-[(p-tolylcarbamoylformyl)aminoiminomethyl]benzoate
SMILES [?]:
Cc1ccc(cc1)NC(=O)C(=O)NN=Cc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C18H17N3O4/c1-12-3-9-15(10-4-12)20-16(22)17(23)21-19-11-13-5-7-14(8-6-13)18(24)25-2/h3-11H,1-2H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,3,7,17,21,18,20,4,6,15,2,16,19,5,9,11,22,14,8,13,10,12,23,24/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCCCCCCNCOCONNCCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17N3O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.561
Area:568.482
Solvation:-3.65107
Coulombic:-64.4855
Bond Count [?]
All:26
Single:16
Double:10
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:339.345
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.4
LogP (Chemaxon):2.99

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Descriptor Annotations

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