Chemical ID: 6038815

CC(c1ccccc1)NC(=O)CCN(Cc2ccccc2)C(=O)c3cnccn3
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

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Descriptor Annotations

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