Chemical ID: 5999369

c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)C(=O)Nc4ccc(cc4F)F)CC(=O)N5CCOCC5
Chemical ID:
5999369
Name [?]:
2-(morpholinocarbonylmethyl)-N,N-bis[2-(morpholinocarbonylmethyl)-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]dec-9-yl]-1-oxo-4-phenyl-2,4,8-triazaspiro[4.5]decane-8-carboxamide
SMILES [?]:
c1ccc(cc1)N2CN(C(=O)C23CCN(CC3)C(=O)Nc4ccc(cc4F)F)CC(=O)N5CCOCC5
InChi [?]:
InChI=1/C26H29F2N5O4/c27-19-6-7-22(21(28)16-19)29-25(36)31-10-8-26(9-11-31)24(35)32(17-23(34)30-12-14-37-15-13-30)18-33(26)20-4-2-1-3-5-20/h1-7,16H,8-15,17-18H2,(H,29,36)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,23,22,13,17,14,16,33,37,34,36,25,29,8,24,4,26,21,30,10,18,12,28,27,20,32,15,9,7,31,11,19,35/E:(2,3)(4,5)(8,9)(10,11)(12,13)(14,15)/rA:37cCCCCCCNCNCOCCCNCCCONCCCCCCFFCCONCCOCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s7s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s24;s9;s29;d30;s30;s32;s33;s34;s35;s32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29F2N5O4
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:9.94302
Area:704.846
Solvation:-7.67814
Coulombic:-84.5055
Bond Count [?]
All:41
Single:32
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:513.537
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:1.85
LogP (Chemaxon):1.52

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