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Chemical ID: 4565209
Chemical ID:
4565209
Name [?]:
3-(4-isopropoxyphenyl)-N-[3-(2-isopropyltetrahydropyran-4-yl)-3-phenyl-propyl]-3-phenyl-propanamide
SMILES [?]:
CC(C)C1CC(CCO1)C(CCNC(=O)CC(c2ccccc2)c3ccc(cc3)OC(C)C)c4ccccc4
InChi [?]:
InChI=1/C35H45NO3/c1-25(2)34-23-30(20-22-38-34)32(27-11-7-5-8-12-27)19-21-36-35(37)24-33(28-13-9-6-10-14-28)29-15-17-31(18-16-29)39-26(3)4/h5-18,25-26,30,32-34H,19-24H2,1-4H3,(H,36,37)
InChi Info:
AuxInfo=1/1/N:1,3,32,33,37,21,36,38,20,22,35,39,19,23,25,29,26,28,11,7,12,8,5,16,2,31,34,18,24,6,27,10,17,4,14,13,15,9,30/E:(1,2)(3,4)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:39cCCCCCCCCOCCCNCOCCCCCCCCCCCCCCOCCCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s4s8;s6;s10;s11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s17;s24;d25;s26;d27;d24s28;s27;s30;s31;s31;s10;s34;d35;s36;d37;d34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C35H45NO3 |
All Atoms: | 39 |
Heavy Atoms: | 39 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 15.8426 |
Area: | 842.836 |
Solvation: | -5.22826 |
Coulombic: | -41.0304 |
Bond Count [?]
All: | 42 |
Single: | 32 |
Double: | 10 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 527.737 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 7.45 |
LogP (Chemaxon): | 7.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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