Chemical ID: 6038805

COc1ccc(cc1OC)CCNC(=O)CCN(Cc2ccccc2)C(=O)c3cnccn3
Chemical ID:
6038805
Name [?]:
N-benzyl-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]ethyl]pyrazine-2-carboxamide
SMILES [?]:
COc1ccc(cc1OC)CCNC(=O)CCN(Cc2ccccc2)C(=O)c3cnccn3
InChi [?]:
InChI=1/C25H28N4O4/c1-32-22-9-8-19(16-23(22)33-2)10-12-28-24(30)11-15-29(18-20-6-4-3-5-7-20)25(31)21-17-26-13-14-27-21/h3-9,13-14,16-17H,10-12,15,18H2,1-2H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,10,23,22,24,21,25,5,4,11,16,12,31,32,17,7,29,19,6,20,28,3,8,14,26,30,33,13,18,15,27,2,9/E:(4,5)(6,7)/rA:33nCOCCCCCCOCCCNCOCCNCCCCCCCCOCCNCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;d20s24;s18;d26;s26;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H28N4O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:10.5043
Area:714.533
Solvation:-7.35899
Coulombic:-63.4961
Bond Count [?]
All:35
Single:24
Double:11
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:448.514
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.11
LogP (Chemaxon):1.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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