Chemical ID: 4840282

CN(c1ccc(cc1)O)C2=NC(=O)C(=Cc3ccccc3)S2
Chemical ID:
4840282
Name [?]:
5-benzylidene-2-[(4-hydroxyphenyl)-methyl-amino]-thiazol-4-one
SMILES [?]:
CN(c1ccc(cc1)O)C2=NC(=O)C(=Cc3ccccc3)S2
InChi [?]:
InChI=1/C17H14N2O2S/c1-19(13-7-9-14(20)10-8-13)17-18-16(21)15(22-17)11-12-5-3-2-4-6-12/h2-11,20H,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,17,21,4,8,5,7,15,16,3,6,14,12,10,11,2,9,13,22/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCNCCCCCCOCNCOCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s2;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.66235
Area:503.456
Solvation:-2.92405
Coulombic:-41.3103
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:310.371
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.51
LogP (Chemaxon):4.61

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