ChemDB: Chemical Search
Download
Chemical ID: 3860967
Chemical ID:
3860967
Name [?]:
N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-N-(3-dimethylaminopropyl)-2-(4-nitrophenoxy)-acetamide
SMILES [?]:
CN(C)CCCN(c1nc(cs1)c2cc(ccc2OC)OC)C(=O)COc3ccc(cc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C24H28N4O6S/c1-26(2)12-5-13-27(23(29)15-34-18-8-6-17(7-9-18)28(30)31)24-25-21(16-35-24)20-14-19(32-3)10-11-22(20)33-4/h6-11,14,16H,5,12-13,15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,22,20,5,29,31,28,32,16,17,4,6,14,25,11,30,27,15,13,10,18,23,8,9,2,7,33,24,34,35,21,19,26,12/E:(1,2)(6,7)(8,9)(30,31)/CRV:28.5/rA:35nCNCCCCNCNCCSCCCCCCOCOCCOCOCCCCCCN+OO-/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s18;s19;s15;s21;s7;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;s30;d33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28N4O6S |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.91186 |
Area: | 753.669 |
Solvation: | -14.9299 |
Coulombic: | -56.3141 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 10 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 500.568 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 9 |
XLogP: | 3.46 |
LogP (Chemaxon): | 3.47 |
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 |
---|