ChemDB: Chemical Search
Download
Chemical ID: 5915691
Chemical ID:
5915691
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-N-(3-methoxypropyl)-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)N(CCCOC)CC(=O)N(Cc1ccccc1)Cc2cccs2
InChi [?]:
InChI=1/C23H32N2O3S/c1-23(2,3)22(27)24(13-9-14-28-4)18-21(26)25(17-20-12-8-15-29-20)16-19-10-6-5-7-11-19/h5-8,10-12,15H,9,13-14,16-18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,12,21,20,22,27,9,19,23,26,8,10,28,17,24,13,18,25,14,5,2,7,16,15,6,11,29/E:(1,2,3)(6,7)(10,11)/rA:29nCCCCCONCCCOCCCONCCCCCCCCCCCCS/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;s10;s11;s7;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s16;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H32N2O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6918 |
Area: | 632.915 |
Solvation: | -5.13105 |
Coulombic: | -42.8513 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 416.578 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.56 |
LogP (Chemaxon): | 3.34 |
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 |
---|