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Chemical ID: 6038814
Chemical ID:
6038814
Name [?]:
N-benzyl-N-[2-(phenethylcarbamoyl)ethyl]pyrazine-2-carboxamide
SMILES [?]:
c1ccc(cc1)CCNC(=O)CCN(Cc2ccccc2)C(=O)c3cnccn3
InChi [?]:
InChI=1/C23H24N4O2/c28-22(26-13-11-19-7-3-1-4-8-19)12-16-27(18-20-9-5-2-6-10-20)23(29)21-17-24-14-15-25-21/h1-10,14-15,17H,11-13,16,18H2,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,19,2,6,18,20,3,5,17,21,7,12,8,27,28,13,25,15,4,16,24,10,22,26,29,9,14,11,23/E:(3,4)(5,6)(7,8)(9,10)/rA:29nCCCCCCCCNCOCCNCCCCCCCCOCCNCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s14;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N4O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.249 |
Area: | 639.64 |
Solvation: | -3.74196 |
Coulombic: | -51.1387 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 388.462 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.55 |
LogP (Chemaxon): | 1.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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