Chemical ID: 6038861

CC(CCc1ccccc1)NC(=O)CCN(Cc2ccccc2)C(=O)c3cnccn3
Chemical ID:
6038861
Name [?]:
N-benzyl-N-[2-[(1-methyl-3-phenyl-propyl)carbamoyl]ethyl]pyrazine-2-carboxamide
SMILES [?]:
CC(CCc1ccccc1)NC(=O)CCN(Cc2ccccc2)C(=O)c3cnccn3
InChi [?]:
InChI=1/C25H28N4O2/c1-20(12-13-21-8-4-2-5-9-21)28-24(30)14-17-29(19-22-10-6-3-7-11-22)25(31)23-18-26-15-16-27-23/h2-11,15-16,18,20H,12-14,17,19H2,1H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,8,21,7,9,20,22,6,10,19,23,3,4,14,29,30,15,27,17,2,5,18,26,12,24,28,31,11,16,13,25/E:(4,5)(6,7)(8,9)(10,11)/rA:31cCCCCCCCCCCNCOCCNCCCCCCCCOCCNCCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2;s11;d12;s12;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s16;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H28N4O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:13.2123
Area:675.483
Solvation:-3.6748
Coulombic:-51.4962
Bond Count [?]
All:33
Single:22
Double:11
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:416.516
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.36
LogP (Chemaxon):2.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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