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Chemical ID: 4343944
Chemical ID:
4343944
Name [?]:
4-benzyloxy-N-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-benzamide
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)C(=O)Nc3ncc(s3)Cc4ccc(cc4)F
InChi [?]:
InChI=1/C24H19FN2O2S/c25-20-10-6-17(7-11-20)14-22-15-26-24(30-22)27-23(28)19-8-12-21(13-9-19)29-16-18-4-2-1-3-5-18/h1-13,15H,14,16H2,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,25,29,11,13,26,28,10,14,23,20,7,24,4,12,27,9,21,15,18,30,19,17,16,8,22/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:30nCCCCCCCOCCCCCCCONCNCCSCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;d18;s19;d20;s18s21;s21;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19FN2O2S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0843 |
Area: | 659.7 |
Solvation: | -5.40816 |
Coulombic: | -40.2149 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 418.484 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.73 |
LogP (Chemaxon): | 5.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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