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Chemical ID: 6285270
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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