ChemDB: Chemical Search
Download
Chemical ID: 6011556
Chemical ID:
6011556
Name [?]:
N-[[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]carbamoyl]methyl]-N-propyl-4-tert-butyl-benzamide
SMILES [?]:
CCCN(CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccccc3OC)C(=O)c4ccc(cc4)C(C)(C)C
InChi [?]:
InChI=1/C34H41N3O3/c1-6-20-37(33(39)25-15-17-28(18-16-25)34(2,3)4)24-32(38)36(23-27-11-7-10-14-31(27)40-5)21-19-26-22-35-30-13-9-8-12-29(26)30/h7-18,22,35H,6,19-21,23-24H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,38,39,40,28,2,23,17,18,24,22,16,19,25,32,36,33,35,10,3,9,12,20,5,31,11,21,34,15,14,26,6,29,37,13,8,4,7,30,27/E:(2,3,4)(15,16)(17,18)/rA:40nCCCNCCONCCCCNCCCCCCCCCCCCCOCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;s13;s11s14;d15;s16;d17;d14s18;s8;s20;s21;d22;s23;d24;d21s25;s26;s27;s4;d29;s29;s31;d32;s33;d34;d31s35;s34;s37;s37;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C34H41N3O3 |
All Atoms: | 40 |
Heavy Atoms: | 40 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 15.0501 |
Area: | 800.314 |
Solvation: | -4.95774 |
Coulombic: | -55.8944 |
Bond Count [?]
All: | 43 |
Single: | 31 |
Double: | 12 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 539.708 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 7.04 |
LogP (Chemaxon): | 6.75 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|