Chemical ID: 5630640

Cc1ccc(cc1C)C2=NC(=Cc3c(ccs3)C)C(=O)O2
Chemical ID:
5630640
Name [?]:
2-(3,4-dimethylphenyl)-4-[(3-methyl-2-thienyl)methylene]oxazol-5-one
SMILES [?]:
Cc1ccc(cc1C)C2=NC(=Cc3c(ccs3)C)C(=O)O2
InChi [?]:
InChI=1/C17H15NO2S/c1-10-4-5-13(8-12(10)3)16-18-14(17(19)20-16)9-15-11(2)6-7-21-15/h4-9H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,8,3,4,15,16,6,12,2,14,7,5,11,13,9,19,10,20,21,17/rA:21nCCCCCCCCCNCCCCCCSCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;w11;s12;d13;s14;d15;s13s16;s14;s11;d19;s9s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15NO2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.5567
Area:493.205
Solvation:-1.7734
Coulombic:-28.4116
Bond Count [?]
All:23
Single:15
Double:8
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:297.373
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.82
LogP (Chemaxon):4.47

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Descriptor Annotations

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