ChemDB: Chemical Search
Download
Chemical ID: 6032916
Chemical ID:
6032916
Name [?]:
4-methoxy-N-(2-methoxyethyl)-N-[[4-(morpholinocarbonylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide
SMILES [?]:
COCCN(CC(=O)Nc1nc(cs1)CC(=O)N2CCOCC2)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C22H28N4O6S/c1-30-10-7-26(21(29)16-3-5-18(31-2)6-4-16)14-19(27)24-22-23-17(15-33-22)13-20(28)25-8-11-32-12-9-25/h3-6,15H,7-14H2,1-2H3,(H,23,24,27)
InChi Info:
AuxInfo=1/1/N:1,33,27,31,28,30,4,19,23,3,20,22,15,6,13,26,12,29,7,16,24,10,11,9,18,5,8,17,25,2,32,21,14/E:(3,4)(5,6)(8,9)(11,12)/rA:33nCOCCNCCONCNCCSCCONCCOCCCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s16;s18;s19;s20;s21;s18s22;s5;d24;s24;s26;d27;s28;d29;d26s30;s29;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H28N4O6S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.21425 |
Area: | 712.038 |
Solvation: | -10.5867 |
Coulombic: | -77.2538 |
Bond Count [?]
All: | 35 |
Single: | 27 |
Double: | 8 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 476.547 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 9 |
XLogP: | -0.11 |
LogP (Chemaxon): | 0.43 |
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 |
---|