ChemDB: Chemical Search
Download
Chemical ID: 6012027
Chemical ID:
6012027
Name [?]:
N-[[(3,4-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]carbamoyl]methyl]-N-(2-methoxyethyl)pentanamide
SMILES [?]:
CCCCC(=O)N(CCOC)CC(=O)N(CCc1c[nH]c2c1cccc2)Cc3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C29H39N3O5/c1-5-6-11-28(33)32(16-17-35-2)21-29(34)31(20-22-12-13-26(36-3)27(18-22)37-4)15-14-23-19-30-25-10-8-7-9-24(23)25/h7-10,12-13,18-19,30H,5-6,11,14-17,20-21H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,11,37,35,2,3,24,25,23,26,4,29,30,17,16,8,9,33,19,27,12,28,18,22,21,31,32,5,13,20,15,7,6,14,10,36,34/rA:37nCCCCCONCCOCCCONCCCCNCCCCCCCCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s7;s12;d13;s13;s15;s16;s17;d18;s19;s20;s18s21;d22;s23;d24;d21s25;s15;s27;s28;d29;s30;d31;d28s32;s32;s34;s31;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H39N3O5 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9672 |
Area: | 792.263 |
Solvation: | -8.83936 |
Coulombic: | -65.6088 |
Bond Count [?]
All: | 39 |
Single: | 30 |
Double: | 9 |
Rotors: | 17 |
Chiral: | 0 |
Rigid Segments: | 13 |
Chemical Properties
Molecular Weight: | 509.637 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 3.58 |
LogP (Chemaxon): | 3.59 |
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 |
---|