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Chemical ID: 5999369
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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