ChemDB: Chemical Search
Download
Chemical ID: 6024194
Chemical ID:
6024194
Name [?]:
N-[[2-(3,4-dimethoxyphenyl)ethyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(3-methoxypropyl)propanamide
SMILES [?]:
CCC(=O)N(CCCOC)CC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2c(ccs2)C
InChi [?]:
InChI=1/C25H36N2O5S/c1-6-24(28)26(12-7-14-30-3)18-25(29)27(17-23-19(2)11-15-33-23)13-10-20-8-9-21(31-4)22(16-20)32-5/h8-9,11,15-16H,6-7,10,12-14,17-18H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,33,10,26,24,2,7,18,19,16,30,6,15,8,31,22,27,11,29,17,20,21,28,3,12,5,14,4,13,9,25,23,32/rA:33nCCCONCCCOCCCONCCCCCCCCOCOCCCCCCSC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s5;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s14;s27;d28;s29;d30;s28s31;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H36N2O5S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.77794 |
Area: | 745.119 |
Solvation: | -8.85003 |
Coulombic: | -53.9771 |
Bond Count [?]
All: | 34 |
Single: | 27 |
Double: | 7 |
Rotors: | 16 |
Chiral: | 0 |
Rigid Segments: | 12 |
Chemical Properties
Molecular Weight: | 476.63 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 1.93 |
LogP (Chemaxon): | 2.33 |
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 |
---|