Chemical ID: 6285270

CCn1c2c(cccc2Cl)sc1=NC(=O)c3ccccc3Oc4ccccc4
Chemical ID:
6285270
Name [?]:
N-(4-chloro-3-ethyl-benzothiazol-2-ylidene)-2-phenoxy-benzamide
SMILES [?]:
CCn1c2c(cccc2Cl)sc1=NC(=O)c3ccccc3Oc4ccccc4
InChi [?]:
InChI=1/C22H17ClN2O2S/c1-2-25-20-17(23)12-8-14-19(20)28-22(25)24-21(26)16-11-6-7-13-18(16)27-15-9-4-3-5-10-15/h3-14H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,26,25,27,18,19,7,24,28,17,8,20,6,23,16,9,21,5,4,14,12,10,13,3,15,22,11/E:(4,5)(9,10)/rA:28nCCNCCCCCCClSCNCOCCCCCCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s5;s3s11;w12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17ClN2O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.5075
Area:571.544
Solvation:-2.78108
Coulombic:-34.7965
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:408.901
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.37
LogP (Chemaxon):6.91

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