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Chemical ID: 6267261
Chemical ID:
6267261
Name [?]:
2-(2,4-dichlorophenoxy)-N-(4-ethoxy-3-ethyl-benzothiazol-2-ylidene)-acetamide
SMILES [?]:
CCn1c2c(cccc2sc1=NC(=O)COc3ccc(cc3Cl)Cl)OCC
InChi [?]:
InChI=1/C19H18Cl2N2O3S/c1-3-23-18-15(25-4-2)6-5-7-16(18)27-19(23)22-17(24)11-26-14-9-8-12(20)10-13(14)21/h5-10H,3-4,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,2,26,7,6,8,19,18,21,15,20,22,17,5,9,13,4,11,24,23,12,3,14,25,16,10/rA:27nCCNCCCCCCSCNCOCOCCCCCCClClOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s22;s20;s5;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18Cl2N2O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5665 |
Area: | 611.508 |
Solvation: | -4.72119 |
Coulombic: | -39.4074 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 425.329 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.54 |
LogP (Chemaxon): | 5.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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