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Chemical ID: 6038815
Chemical ID:
6038815
Name [?]:
N-benzyl-N-[2-(1-phenylethylcarbamoyl)ethyl]pyrazine-2-carboxamide
SMILES [?]:
CC(c1ccccc1)NC(=O)CCN(Cc2ccccc2)C(=O)c3cnccn3
InChi [?]:
InChI=1/C23H24N4O2/c1-18(20-10-6-3-7-11-20)26-22(28)12-15-27(17-19-8-4-2-5-9-19)23(29)21-16-24-13-14-25-21/h2-11,13-14,16,18H,12,15,17H2,1H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,19,6,18,20,5,7,17,21,4,8,12,27,28,13,25,15,2,16,3,24,10,22,26,29,9,14,11,23/E:(4,5)(6,7)(8,9)(10,11)/rA:29cCCCCCCCCNCOCCNCCCCCCCCOCCNCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;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: | 1 |
ZAP Information [?]
Total: | 12.0031 |
Area: | 623.997 |
Solvation: | -3.59686 |
Coulombic: | -51.3115 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 388.462 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.91 |
LogP (Chemaxon): | 2.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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