Chemical ID: 6699617

C[NH+]1CC[NH+](CC1)CC(=O)Nc2ccc(cc2)C(=O)OC
Chemical ID:
6699617
Name [?]:
methyl 4-[2-(4-methyl-2,3,5,6-tetrahydropyrazin-1-yl)acetyl]aminobenzoate
SMILES [?]:
C[NH+]1CC[NH+](CC1)CC(=O)Nc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C15H21N3O3/c1-17-7-9-18(10-8-17)11-14(19)16-13-5-3-12(4-6-13)15(20)21-2/h3-6H,7-11H2,1-2H3,(H,16,19)/p+2
InChi Info:
AuxInfo=1/1/N:1,21,14,16,13,17,3,7,4,6,8,15,12,9,18,11,2,5,10,19,20/E:(3,4)(5,6)(7,8)(9,10)/rA:21nCN+CCN+CCCCONCCCCCCCOOC/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23N3O3+2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-95.8177
Area:502.527
Solvation:-108.381
Coulombic:76.0922
Bond Count [?]
All:22
Single:17
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:293.362
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:0.38
LogP (Chemaxon):0.59

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Descriptor Annotations

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