ChemDB: Chemical Search
Download
Chemical ID: 6219960
Chemical ID:
6219960
Name [?]:
methyl 4-[[4-(4-methoxyphenyl)thiazol-2-yl]carbamoyl]benzoate
SMILES [?]:
COc1ccc(cc1)c2csc(n2)NC(=O)c3ccc(cc3)C(=O)OC
InChi [?]:
InChI=1/C19H16N2O4S/c1-24-15-9-7-12(8-10-15)16-11-26-19(20-16)21-17(22)13-3-5-14(6-4-13)18(23)25-2/h3-11H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,26,18,22,19,21,5,7,4,8,10,6,17,20,3,9,15,23,12,13,14,16,24,2,25,11/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCOCCCCCCCCSCNNCOCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O4S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.31 |
Area: | 595.892 |
Solvation: | -4.58726 |
Coulombic: | -54.9968 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 368.407 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.68 |
LogP (Chemaxon): | 3.74 |
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 |
---|