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Chemical ID: 6012841
Chemical ID:
6012841
Name [?]:
N-[[2-(1H-indol-3-yl)ethyl-(p-tolylmethyl)carbamoyl]methyl]-N-isopropyl-4-tert-butyl-benzamide
SMILES [?]:
Cc1ccc(cc1)CN(CCc2c[nH]c3c2cccc3)C(=O)CN(C(C)C)C(=O)c4ccc(cc4)C(C)(C)C
InChi [?]:
InChI=1/C34H41N3O2/c1-24(2)37(33(39)27-15-17-29(18-16-27)34(4,5)6)23-32(38)36(22-26-13-11-25(3)12-14-26)20-19-28-21-35-31-10-8-7-9-30(28)31/h7-18,21,24,35H,19-20,22-23H2,1-6H3
InChi Info:
AuxInfo=1/0/N:26,27,1,37,38,39,18,19,17,20,3,7,4,6,31,35,32,34,11,10,13,8,23,25,2,5,30,12,33,16,15,21,28,36,14,9,24,22,29/E:(1,2)(4,5,6)(11,12)(13,14)(15,16)(17,18)/rA:39nCCCCCCCCNCCCCNCCCCCCCOCNCCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s13;s14;s12s15;d16;s17;d18;d15s19;s9;d21;s21;s23;s24;s25;s25;s24;d28;s28;s30;d31;s32;d33;d30s34;s33;s36;s36;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C34H41N3O2 |
All Atoms: | 39 |
Heavy Atoms: | 39 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 16.0234 |
Area: | 786.341 |
Solvation: | -3.63518 |
Coulombic: | -49.0443 |
Bond Count [?]
All: | 42 |
Single: | 30 |
Double: | 12 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 523.708 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 7.67 |
LogP (Chemaxon): | 7.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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