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Chemical ID: 6038051
Chemical ID:
6038051
Name [?]:
5-methyl-N-(2-morpholinoethyl)-N-[2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]ethyl]pyrazine-2-carboxamide
SMILES [?]:
Cc1cnc(cn1)C(=O)N(CCC(=O)NCc2cccc(c2)C(F)(F)F)CCN3CCOCC3
InChi [?]:
InChI=1/C23H28F3N5O3/c1-17-14-28-20(16-27-17)22(33)31(8-7-30-9-11-34-12-10-30)6-5-21(32)29-15-18-3-2-4-19(13-18)23(24,25)26/h2-4,13-14,16H,5-12,15H2,1H3,(H,29,32)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,12,11,28,27,30,34,31,33,22,3,16,6,2,17,21,5,13,8,23,24,25,26,7,4,15,29,10,14,9,32/E:(9,10)(11,12)(24,25,26)/rA:34nCCCNCCNCONCCCONCCCCCCCCFFFCCNCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s23;s23;s10;s27;s28;s29;s30;s31;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H28F3N5O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0798 |
Area: | 709.931 |
Solvation: | -5.66845 |
Coulombic: | -80.4378 |
Bond Count [?]
All: | 36 |
Single: | 28 |
Double: | 8 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 479.496 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.37 |
LogP (Chemaxon): | 0.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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