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Chemical ID: 5892383
Chemical ID:
5892383
Name [?]:
2,2-diphenyl-N-(4-pyrrolidin-1-yl-3-pyrrolidin-1-ylcarbonyl-phenyl)-acetamide
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)C(=O)Nc3ccc(c(c3)C(=O)N4CCCC4)N5CCCC5
InChi [?]:
InChI=1/C29H31N3O2/c33-28(27(22-11-3-1-4-12-22)23-13-5-2-6-14-23)30-24-15-16-26(31-17-7-8-18-31)25(21-24)29(34)32-19-9-10-20-32/h1-6,11-16,21,27H,7-10,17-20H2,(H,30,33)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,32,33,27,28,3,5,9,13,18,19,31,34,26,29,22,4,8,17,21,20,7,14,23,16,30,25,15,24/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12,13,14)(17,18)(19,20)(22,23)/rA:34nCCCCCCCCCCCCCCONCCCCCCCONCCCCNCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;d23;s23;s25;s26;s27;s25s28;s20;s30;s31;s32;s30s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H31N3O2 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8191 |
Area: | 691.896 |
Solvation: | -4.47831 |
Coulombic: | -46.0107 |
Bond Count [?]
All: | 38 |
Single: | 27 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 453.575 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.24 |
LogP (Chemaxon): | 5.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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