Chemical ID: 6038081

Cc1cnc(cn1)C(=O)N(CCCN2CCOCC2)CCC(=O)N3CC4(CC3CC(C4)(C)C)C
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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