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Chemical ID: 6008370
Chemical ID:
6008370
Name [?]:
N-butyl-2-[8-(4-hexylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl]-acetamide
SMILES [?]:
CCCCCCc1ccc(cc1)C(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)NCCCC
InChi [?]:
InChI=1/C32H44N4O3/c1-3-5-7-9-12-26-15-17-27(18-16-26)30(38)34-22-19-32(20-23-34)31(39)35(24-29(37)33-21-6-4-2)25-36(32)28-13-10-8-11-14-28/h8,10-11,13-18H,3-7,9,12,19-25H2,1-2H3,(H,33,37)
InChi Info:
AuxInfo=1/1/N:1,39,2,38,3,37,4,29,5,28,30,6,27,31,8,12,9,11,17,19,36,16,20,32,24,7,10,26,33,13,21,18,35,15,23,25,34,14,22/E:(10,11)(13,14)(15,16)(17,18)(19,20)(22,23)/rA:39cCCCCCCCCCCCCCONCCCCCCONCNCCCCCCCCONCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;s17;s18;s15s19;s18;d21;s21;s23;s18s24;s25;s26;d27;s28;d29;d26s30;s23;s32;d33;s33;s35;s36;s37;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H44N4O3 |
All Atoms: | 39 |
Heavy Atoms: | 39 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 16.4039 |
Area: | 845.173 |
Solvation: | -4.72545 |
Coulombic: | -65.666 |
Bond Count [?]
All: | 42 |
Single: | 33 |
Double: | 9 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 532.717 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 6.83 |
LogP (Chemaxon): | 5.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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