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Chemical ID: 7255814
Chemical ID:
7255814
Name [?]:
4-acetamido-N-[4-(3,4-difluorophenyl)thiazol-2-yl]-benzamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccc(c(c3)F)F
InChi [?]:
InChI=1/C18H13F2N3O2S/c1-10(24)21-13-5-2-11(3-6-13)17(25)23-18-22-16(9-26-18)12-4-7-14(19)15(20)8-12/h2-9H,1H3,(H,21,24)(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,7,9,20,6,10,21,24,17,2,8,19,5,22,23,16,11,14,26,25,4,15,13,3,12,18/E:(2,3)(5,6)/rA:26nCCONCCCCCCCONCNCCSCCCCCCFF/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13F2N3O2S |
All Atoms: | 39 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.59266 |
Area: | 564.203 |
Solvation: | -5.51242 |
Coulombic: | -53.3931 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 373.378 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.4 |
LogP (Chemaxon): | 4.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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