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Chemical ID: 5611373
Chemical ID:
5611373
Name [?]:
N-[4-(3,4-difluorophenyl)thiazol-2-yl]-3,4-difluoro-benzamide
SMILES [?]:
c1cc(c(cc1c2csc(n2)NC(=O)c3ccc(c(c3)F)F)F)F
InChi [?]:
InChI=1/C16H8F4N2OS/c17-10-3-1-8(5-12(10)19)14-7-24-16(21-14)22-15(23)9-2-4-11(18)13(20)6-9/h1-7H,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,16,2,17,5,20,8,6,15,3,18,4,19,7,13,10,24,22,23,21,11,12,14,9/rA:24nCCCCCCCCSCNNCOCCCCCCFFFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s18;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H8F4N2OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.4743 |
Area: | 505.276 |
Solvation: | -6.1576 |
Coulombic: | -41.2097 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 352.307 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.47 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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