Chemical ID: 4365464

c1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)Nc4cccc(c4)O
Chemical ID:
4365464
Name [?]:
N-[4-[2-(3-hydroxyphenyl)aminothiazol-4-yl]phenyl]benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)Nc4cccc(c4)O
InChi [?]:
InChI=1/C22H17N3O2S/c26-19-8-4-7-18(13-19)24-22-25-20(14-28-22)15-9-11-17(12-10-15)23-21(27)16-5-2-1-3-6-16/h1-14,26H,(H,23,27)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,24,3,5,23,25,12,14,11,15,27,17,13,4,10,22,26,16,7,19,9,21,20,28,8,18/E:(2,3)(5,6)(9,10)(11,12)/rA:28nCCCCCCCONCCCCCCCCSCNNCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;d16;s17;s18;s16d19;s19;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17N3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.7295
Area:614.502
Solvation:-3.63308
Coulombic:-57.1578
Bond Count [?]
All:31
Single:19
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:387.455
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:4.63
LogP (Chemaxon):5.41

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