ChemDB: Chemical Search
Download
Chemical ID: 6023049
Chemical ID:
6023049
Name [?]:
N-[(benzo[1,3]dioxol-5-ylmethyl-(2-thienylmethyl)carbamoyl)methyl]-3-cyclopentyl-N-(2-methoxyethyl)propanamide
SMILES [?]:
COCCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3cccs3)C(=O)CCC4CCCC4
InChi [?]:
InChI=1/C26H34N2O5S/c1-31-13-12-27(25(29)11-9-20-5-2-3-6-20)18-26(30)28(17-22-7-4-14-34-22)16-21-8-10-23-24(15-21)33-19-32-23/h4,7-8,10,14-15,20H,2-3,5-6,9,11-13,16-19H2,1H3
InChi Info:
AuxInfo=1/0/N:1,32,33,23,31,34,22,12,29,13,28,4,3,24,16,10,20,6,18,30,11,21,14,15,26,7,5,9,27,8,2,19,17,25/E:(2,3)(5,6)/rA:34nCOCCNCCONCCCCCCCOCOCCCCCSCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14s18;s9;s20;d21;s22;d23;s21s24;s5;d26;s26;s28;s29;s30;s31;s32;s30s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H34N2O5S |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9275 |
Area: | 730.771 |
Solvation: | -6.34177 |
Coulombic: | -58.1473 |
Bond Count [?]
All: | 37 |
Single: | 30 |
Double: | 7 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 486.625 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 3.91 |
LogP (Chemaxon): | 3.16 |
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 |
---|