ChemDB: Chemical Search
Download
Chemical ID: 6135332
Chemical ID:
6135332
Name [?]:
N-(3-ethoxyphenyl)-2-(4-fluorophenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCOc1cccc(c1)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)F)S2)CCc4ccccc4
InChi [?]:
InChI=1/C27H26FN3O3S/c1-2-34-23-10-6-9-22(17-23)29-26(33)24-18-25(32)31(16-15-19-7-4-3-5-8-19)27(35-24)30-21-13-11-20(28)12-14-21/h3-14,17,24H,2,15-16,18H2,1H3,(H,29,33)
InChi Info:
AuxInfo=1/1/N:1,2,33,32,34,6,31,35,7,5,22,24,21,25,29,28,9,14,30,23,20,8,4,13,15,11,18,26,10,19,17,16,12,3,27/E:(4,5)(7,8)(11,12)(13,14)/rA:35cCCOCCCCCCNCOCCCONCNCCCCCCFSCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s23;s13s18;s17;s28;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H26FN3O3S |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.0826 |
Area: | 711.688 |
Solvation: | -5.70964 |
Coulombic: | -54.1479 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 491.578 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.23 |
LogP (Chemaxon): | 6.13 |
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 |
---|