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Chemical ID: 6267218
Chemical ID:
6267218
Name [?]:
N-(4-ethoxy-3-ethyl-benzothiazol-2-ylidene)-2-methyl-propanamide
SMILES [?]:
CCn1c2c(cccc2sc1=NC(=O)C(C)C)OCC
InChi [?]:
InChI=1/C15H20N2O2S/c1-5-17-13-11(19-6-2)8-7-9-12(13)20-15(17)16-14(18)10(3)4/h7-10H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,20,16,17,2,19,7,6,8,15,5,9,4,13,11,12,3,14,18,10/E:(3,4)/rA:20nCCNCCCCCCSCNCOCCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;s15;s15;s5;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2O2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.06007 |
Area: | 462.388 |
Solvation: | -2.49963 |
Coulombic: | -31.3006 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 292.398 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.44 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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