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Chemical ID: 6038081
Chemical ID:
6038081
Name [?]:
5-methyl-N-(3-morpholinopropyl)-N-[2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]ethyl]pyrazine-2-carboxamide
SMILES [?]:
Cc1cnc(cn1)C(=O)N(CCCN2CCOCC2)CCC(=O)N3CC4(CC3CC(C4)(C)C)C
InChi [?]:
InChI=1/C26H41N5O3/c1-20-16-28-22(17-27-20)24(33)30(8-5-7-29-10-12-34-13-11-29)9-6-23(32)31-19-26(4)15-21(31)14-25(2,3)18-26/h16-17,21H,5-15,18-19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,32,33,34,12,21,13,11,20,15,19,16,18,29,27,3,6,31,25,2,28,5,22,8,30,26,7,4,14,10,24,23,9,17/E:(2,3)(10,11)(12,13)/rA:34cCCCNCCNCONCCCNCCOCCCCCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s10;s20;s21;d22;s22;s24;s25;s26;s24s27;s28;s29;s26s30;s30;s30;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H41N5O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 13.1578 |
Area: | 722.062 |
Solvation: | -4.89373 |
Coulombic: | -56.6443 |
Bond Count [?]
All: | 37 |
Single: | 32 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 471.636 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 2.03 |
LogP (Chemaxon): | 0.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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