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Chemical ID: 6267162
Chemical ID:
6267162
Name [?]:
N-(4-ethoxy-3-ethyl-benzothiazol-2-ylidene)acetamide
SMILES [?]:
CCn1c2c(cccc2sc1=NC(=O)C)OCC
InChi [?]:
InChI=1/C13H16N2O2S/c1-4-15-12-10(17-5-2)7-6-8-11(12)18-13(15)14-9(3)16/h6-8H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,15,2,17,7,6,8,13,5,9,4,11,12,3,14,16,10/rA:18nCCNCCCCCCSCNCOCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;s5;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16N2O2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.88181 |
Area: | 422.739 |
Solvation: | -2.68668 |
Coulombic: | -29.8907 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 264.344 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.89 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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