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Chemical ID: 6010644
Chemical ID:
6010644
Name [?]:
N-(4-methoxyphenyl)-2-[4-oxo-1-phenyl-8-(3,5,5-trimethylhexanoyl)-1,3,8-triazaspiro[4.5]dec-3-yl]-acetamide
SMILES [?]:
CC(CC(=O)N1CCC2(CC1)C(=O)N(CN2c3ccccc3)CC(=O)Nc4ccc(cc4)OC)CC(C)(C)C
InChi [?]:
InChI=1/C31H42N4O4/c1-23(20-30(2,3)4)19-28(37)33-17-15-31(16-18-33)29(38)34(22-35(31)25-9-7-6-8-10-25)21-27(36)32-24-11-13-26(39-5)14-12-24/h6-14,23H,15-22H2,1-5H3,(H,32,36)
InChi Info:
AuxInfo=1/1/N:1,37,38,39,34,20,19,21,18,22,28,32,29,31,8,10,7,11,3,35,23,15,2,27,17,30,24,4,12,36,9,26,6,14,16,25,5,13,33/E:(2,3,4)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:39cCCCCONCCCCCCONCNCCCCCCCCONCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s12;s14;s9s15;s16;s17;d18;s19;d20;d17s21;s14;s23;d24;s24;s26;s27;d28;s29;d30;d27s31;s30;s33;s2;s35;s36;s36;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H42N4O4 |
All Atoms: | 39 |
Heavy Atoms: | 39 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 13.2515 |
Area: | 793.021 |
Solvation: | -6.57406 |
Coulombic: | -68.2129 |
Bond Count [?]
All: | 42 |
Single: | 33 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 534.69 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 5.64 |
LogP (Chemaxon): | 4.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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