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Chemical ID: 5940421
Chemical ID:
5940421
Name [?]:
4-ethyl-N-[4-[2-(4-fluorophenyl)aminothiazol-4-yl]phenyl]-benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)Nc4ccc(cc4)F
InChi [?]:
InChI=1/C24H20FN3OS/c1-2-16-3-5-18(6-4-16)23(29)26-20-11-7-17(8-12-20)22-15-30-24(28-22)27-21-13-9-19(25)10-14-21/h3-15H,2H2,1H3,(H,26,29)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,4,8,5,7,14,16,26,28,13,17,25,29,19,3,15,6,27,12,24,18,9,21,30,11,23,22,10,20/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30nCCCCCCCCCONCCCCCCCCSCNNCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s19;s20;s18d21;s21;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20FN3OS |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7548 |
Area: | 651.522 |
Solvation: | -3.53329 |
Coulombic: | -45.0947 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 417.5 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 6.1 |
LogP (Chemaxon): | 6.7 |
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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