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Chemical ID: 5999186
Chemical ID:
5999186
Name [?]:
N-(4-ethoxyphenyl)-4-oxo-1-phenyl-3-(1-piperidylcarbonylmethyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)N5CCCCC5
InChi [?]:
InChI=1/C29H37N5O4/c1-2-38-25-13-11-23(12-14-25)30-28(37)32-19-15-29(16-20-32)27(36)33(21-26(35)31-17-7-4-8-18-31)22-34(29)24-9-5-3-6-10-24/h3,5-6,9-14H,2,4,7-8,15-22H2,1H3,(H,30,37)
InChi Info:
AuxInfo=1/1/N:1,2,27,36,26,28,35,37,25,29,6,8,5,9,15,17,34,38,14,18,30,22,7,24,4,31,19,11,16,10,33,13,21,23,32,20,12,3/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:38cCCOCCCCCCNCONCCCCCCONCNCCCCCCCCONCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;s16s22;s23;s24;d25;s26;d27;d24s28;s21;s30;d31;s31;s33;s34;s35;s36;s33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H37N5O4 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.6712 |
Area: | 762.136 |
Solvation: | -6.38224 |
Coulombic: | -77.306 |
Bond Count [?]
All: | 42 |
Single: | 33 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 519.635 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 9 |
XLogP: | 3.13 |
LogP (Chemaxon): | 3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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