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Chemical ID: 6011161
Chemical ID:
6011161
Name [?]:
N-[[(3,4-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]-N-isobutyl-2-methyl-propanamide
SMILES [?]:
CC(C)CN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(c(c3)OC)OC)C(=O)C(C)C
InChi [?]:
InChI=1/C29H39N3O4/c1-20(2)17-32(29(34)21(3)4)19-28(33)31(18-22-11-12-26(35-5)27(15-22)36-6)14-13-23-16-30-25-10-8-7-9-24(23)25/h7-12,15-16,20-21,30H,13-14,17-19H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,3,35,36,31,29,18,19,17,20,23,24,11,10,27,13,4,21,6,2,34,22,12,16,15,25,26,7,32,14,9,5,8,33,30,28/E:(1,2)(3,4)/rA:36nCCCCNCCONCCCCNCCCCCCCCCCCCCOCOCCOCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;s14;s12s15;d16;s17;d18;d15s19;s9;s21;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;s5;d32;s32;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H39N3O4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0334 |
Area: | 763.206 |
Solvation: | -8.04673 |
Coulombic: | -57.7359 |
Bond Count [?]
All: | 38 |
Single: | 29 |
Double: | 9 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 493.638 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.0 |
LogP (Chemaxon): | 4.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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