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Chemical ID: 6038257
Chemical ID:
6038257
Name [?]:
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-carbamoyl]ethyl]-5-methyl-N-phenethyl-pyrazine-2-carboxamide
SMILES [?]:
Cc1cnc(cn1)C(=O)N(CCc2ccccc2)CCC(=O)N(C)CCc3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C28H34N4O4/c1-21-19-30-24(20-29-21)28(34)32(16-13-22-8-6-5-7-9-22)17-14-27(33)31(2)15-12-23-10-11-25(35-3)26(18-23)36-4/h5-11,18-20H,12-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,36,34,16,15,17,14,18,28,29,26,12,20,25,11,19,32,3,6,2,13,27,5,30,31,21,8,7,4,23,10,22,9,35,33/E:(6,7)(8,9)/rA:36nCCCNCCNCONCCCCCCCCCCCONCCCCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s10;s19;s20;d21;s21;s23;s23;s25;s26;s27;d28;s29;d30;d27s31;s31;s33;s30;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H34N4O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3646 |
Area: | 776.602 |
Solvation: | -7.05046 |
Coulombic: | -59.3269 |
Bond Count [?]
All: | 38 |
Single: | 27 |
Double: | 11 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 490.594 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.04 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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