Chemical ID: 5752254

CCOc1ccc2c(c1)sc(=NC(=O)c3ccc(cc3)OC(C)C)[nH]2
Chemical ID:
5752254
Name [?]:
N-(6-ethoxy-3H-benzothiazol-2-ylidene)-4-isopropoxy-benzamide
SMILES [?]:
CCOc1ccc2c(c1)sc(=NC(=O)c3ccc(cc3)OC(C)C)[nH]2
InChi [?]:
InChI=1/C19H20N2O3S/c1-4-23-15-9-10-16-17(11-15)25-19(20-16)21-18(22)13-5-7-14(8-6-13)24-12(2)3/h5-12H,4H2,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,23,24,2,16,20,17,19,5,6,9,22,15,18,4,7,8,13,11,25,12,14,3,21,10/E:(2,3)(5,6)(7,8)/rA:25nCCOCCCCCCSCNCOCCCCCCOCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;s22;s22;s7s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.6384
Area:579.333
Solvation:-3.84489
Coulombic:-44.0133
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:356.44
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.68
LogP (Chemaxon):4.97

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Descriptor Annotations

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