Chemical ID: 5800096

Cc1ccc(c(c1)O)C=NNC(=O)c2c(onc2c3ccccc3)C
Chemical ID:
5800096
Name [?]:
N-[(2-hydroxy-4-methyl-phenyl)methyleneamino]-5-methyl-3-phenyl-isoxazole-4-carboxamide
SMILES [?]:
Cc1ccc(c(c1)O)C=NNC(=O)c2c(onc2c3ccccc3)C
InChi [?]:
InChI=1/C19H17N3O3/c1-12-8-9-15(16(23)10-12)11-20-21-19(24)17-13(2)25-22-18(17)14-6-4-3-5-7-14/h3-11,23H,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,25,22,21,23,20,24,3,4,7,9,2,15,19,5,6,14,18,12,10,11,17,8,13,16/E:(4,5)(6,7)/rA:25nCCCCCCCOCNNCOCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;w9;s10;s11;d12;s12;d14;s15;s16;s14d17;s18;s19;d20;s21;d22;d19s23;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17N3O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.24281
Area:547.163
Solvation:-4.43625
Coulombic:-39.8145
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:335.357
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.76
LogP (Chemaxon):4.03

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