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Chemical ID: 5469364
Chemical ID:
5469364
Name [?]:
5-(2-fluorophenyl)-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)furan-2-carboxamide
SMILES [?]:
c1ccc(c(c1)c2ccc(o2)C(=O)Nc3nc4c(s3)CCCC4)F
InChi [?]:
InChI=1/C18H15FN2O2S/c19-12-6-2-1-5-11(12)14-9-10-15(23-14)17(22)21-18-20-13-7-3-4-8-16(13)24-18/h1-2,5-6,9-10H,3-4,7-8H2,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,22,21,6,3,23,20,8,9,5,4,17,7,10,18,12,15,24,16,14,13,11,19/rA:24nCCCCCCCCCCOCONCNCCSCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;d12;s12;s14;d15;s16;d17;s15s18;s18;s20;s21;s17s22;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15FN2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.56719 |
Area: | 534.318 |
Solvation: | -3.79075 |
Coulombic: | -39.995 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 342.388 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.95 |
LogP (Chemaxon): | 3.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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