Chemical ID: 5774210

CCC(=O)N=C1NC(=O)C(=Cc2ccc(cc2)OCc3ccccc3F)S1
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

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