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Chemical ID: 6010738
Chemical ID:
6010738
Name [?]:
8-(4-butylbenzoyl)-3-[(4-methyl-1-piperidyl)carbonylmethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N2CCC3(CC2)C(=O)N(CN3c4ccccc4)CC(=O)N5CCC(CC5)C
InChi [?]:
InChI=1/C32H42N4O3/c1-3-4-8-26-11-13-27(14-12-26)30(38)34-21-17-32(18-22-34)31(39)35(24-36(32)28-9-6-5-7-10-28)23-29(37)33-19-15-25(2)16-20-33/h5-7,9-14,25H,3-4,8,15-24H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,39,2,3,27,26,28,4,25,29,6,10,7,9,35,37,15,17,34,38,14,18,30,22,36,5,8,24,31,11,19,16,33,13,21,23,32,12,20/E:(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:39cCCCCCCCCCCCONCCCCCCONCNCCCCCCCCONCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;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;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H42N4O3 |
All Atoms: | 39 |
Heavy Atoms: | 39 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 15.2092 |
Area: | 798.57 |
Solvation: | -4.75506 |
Coulombic: | -60.2195 |
Bond Count [?]
All: | 43 |
Single: | 34 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 530.701 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 5.85 |
LogP (Chemaxon): | 4.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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