Chemical ID: 6267218

CCn1c2c(cccc2sc1=NC(=O)C(C)C)OCC
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

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