ChemDB: Chemical Search
Download
Chemical ID: 4464369
Chemical ID:
4464369
Name [?]:
N-(5-methyl-4-phenyl-thiazol-2-yl)-2-(2-nitrophenoxy)-acetamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)COc2ccccc2[N+](=O)[O-])c3ccccc3
InChi [?]:
InChI=1/C18H15N3O4S/c1-12-17(13-7-3-2-4-8-13)20-18(26-12)19-16(22)11-25-15-10-6-5-9-14(15)21(23)24/h2-10H,11H2,1H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,15,14,22,26,16,13,10,2,21,17,12,8,3,5,7,4,18,9,19,20,11,6/E:(3,4)(7,8)(23,24)/CRV:21.5/rA:26nCCCNCSNCOCOCCCCCCN+OO-CCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s3;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15N3O4S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.8808 |
Area: | 578.121 |
Solvation: | -12.5722 |
Coulombic: | -43.8122 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 369.396 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.13 |
LogP (Chemaxon): | 4.17 |
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 |
---|