ChemDB: Chemical Search
Download
Chemical ID: 6135223
Chemical ID:
6135223
Name [?]:
N-(2-fluorophenyl)-2-(4-methoxyphenyl)imino-3-[(4-methoxyphenyl)methyl]-4-oxo-1,3-thiazinane-6-carboxamide
SMILES [?]:
COc1ccc(cc1)CN2C(=O)CC(SC2=Nc3ccc(cc3)OC)C(=O)Nc4ccccc4F
InChi [?]:
InChI=1/C26H24FN3O4S/c1-33-19-11-7-17(8-12-19)16-30-24(31)15-23(25(32)29-22-6-4-3-5-21(22)27)35-26(30)28-18-9-13-20(34-2)14-10-18/h3-14,23H,15-16H2,1-2H3,(H,29,32)
InChi Info:
AuxInfo=1/1/N:1,25,32,31,33,30,5,7,19,23,4,8,20,22,13,9,6,18,3,21,34,29,14,11,26,16,35,17,28,10,12,27,2,24,15/E:(7,8)(9,10)(11,12)(13,14)/rA:35cCOCCCCCCCNCOCCSCNCCCCCCOCCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;s10s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;s14;d26;s26;s28;s29;d30;s31;d32;d29s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24FN3O4S |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.835 |
Area: | 702.221 |
Solvation: | -6.72049 |
Coulombic: | -61.2519 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 493.551 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.56 |
LogP (Chemaxon): | 4.63 |
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 |
---|