Chemical ID: 6278848

CCOC(=O)Cn1c2ccc(cc2sc1=NC(=O)c3ccccc3)C
Chemical ID:
6278848
Name [?]:
ethyl 2-(2-benzoylimino-6-methyl-benzothiazol-3-yl)acetate
SMILES [?]:
CCOC(=O)Cn1c2ccc(cc2sc1=NC(=O)c3ccccc3)C
InChi [?]:
InChI=1/C19H18N2O3S/c1-3-24-17(22)12-21-15-10-9-13(2)11-16(15)25-19(21)20-18(23)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,22,21,23,20,24,10,9,12,6,11,19,8,13,4,17,15,16,7,5,18,3,14/E:(5,6)(7,8)/rA:25nCCOCOCNCCCCCCSCNCOCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;s7s14;w15;s16;d17;s17;s19;d20;s21;d22;d19s23;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.4591
Area:544.616
Solvation:-3.1563
Coulombic:-44.2443
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:354.424
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.41
LogP (Chemaxon):5.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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