Chemical ID: 4618538

CCC(CC)C(=O)Nc1nc2ccc(cc2s1)OCC
Chemical ID:
4618538
Name [?]:
N-(6-ethoxybenzothiazol-2-yl)-2-ethyl-butanamide
SMILES [?]:
CCC(CC)C(=O)Nc1nc2ccc(cc2s1)OCC
InChi [?]:
InChI=1/C15H20N2O2S/c1-4-10(5-2)14(18)17-15-16-12-8-7-11(19-6-3)9-13(12)20-15/h7-10H,4-6H2,1-3H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,20,2,4,19,13,12,15,3,14,11,16,6,9,10,8,7,18,17/E:(1,2)(4,5)/rA:20nCCCCCCONCNCCCCCCSOCC/rB:s1;s2;s3;s4;s3;d6;s6;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s14;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N2O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.11214
Area:502.508
Solvation:-3.45057
Coulombic:-33.6062
Bond Count [?]
All:21
Single:16
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:292.398
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.21
LogP (Chemaxon):4.48

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