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Chemical ID: 6271679
Chemical ID:
6271679
Name [?]:
2-(2,4-dichlorophenoxy)-N-[6-methoxy-3-(2-methoxyethyl)benzothiazol-2-ylidene]-acetamide
SMILES [?]:
COCCn1c2ccc(cc2sc1=NC(=O)COc3ccc(cc3Cl)Cl)OC
InChi [?]:
InChI=1/C19H18Cl2N2O4S/c1-25-8-7-23-15-5-4-13(26-2)10-17(15)28-19(23)22-18(24)11-27-16-6-3-12(20)9-14(16)21/h3-6,9-10H,7-8,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,21,8,7,20,4,3,23,10,17,22,9,24,6,19,11,15,13,26,25,14,5,16,2,27,18,12/rA:28nCOCCNCCCCCCSCNCOCOCCCCCCClClOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;w13;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s24;s22;s9;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18Cl2N2O4S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.99195 |
Area: | 625.381 |
Solvation: | -6.64259 |
Coulombic: | -45.561 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 441.329 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.5 |
LogP (Chemaxon): | 5.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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