Chemical ID: 6279247

CCOC(=O)Cn1c2ccccc2sc1=NC(=O)c3ccc(cc3)Cl
Chemical ID:
6279247
Name [?]:
ethyl 2-[2-(4-chlorobenzoyl)iminobenzothiazol-3-yl]acetate
SMILES [?]:
CCOC(=O)Cn1c2ccccc2sc1=NC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H15ClN2O3S/c1-2-24-16(22)11-21-14-5-3-4-6-15(14)25-18(21)20-17(23)12-7-9-13(19)10-8-12/h3-10H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,11,9,12,20,24,21,23,6,19,22,8,13,4,17,15,25,16,7,5,18,3,14/E:(7,8)(9,10)/rA:25nCCOCOCNCCCCCCSCNCOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;s7s14;w15;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.6531
Area:555.204
Solvation:-3.22702
Coulombic:-44.2807
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:374.842
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.59
LogP (Chemaxon):5.06

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