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Chemical ID: 5774210
Chemical ID:
5774210
Name [?]:
N-[5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylene]-4-oxo-thiazolidin-2-ylidene]propanamide
SMILES [?]:
CCC(=O)N=C1NC(=O)C(=Cc2ccc(cc2)OCc3ccccc3F)S1
InChi [?]:
InChI=1/C20H17FN2O3S/c1-2-18(24)22-20-23-19(25)17(27-20)11-13-7-9-15(10-8-13)26-12-14-5-3-4-6-16(14)21/h3-11H,2,12H2,1H3,(H,22,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,22,23,21,24,13,17,14,16,11,19,12,20,15,25,10,3,8,6,26,5,7,4,9,18,27/E:(7,8)(9,10)/rA:27nCCCONCNCOCCCCCCCCOCCCCCCCFS/rB:s1;s2;d3;s3;w5;s6;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s15;s18;s19;s20;d21;s22;d23;d20s24;s25;s6s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17FN2O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1609 |
Area: | 596.61 |
Solvation: | -3.75435 |
Coulombic: | -50.7787 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 384.425 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.44 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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