Chemical ID: 6285229

CCn1c2c(cccc2Cl)sc1=NC(=O)C(C)C
Chemical ID:
6285229
Name [?]:
N-(4-chloro-3-ethyl-benzothiazol-2-ylidene)-2-methyl-propanamide
SMILES [?]:
CCn1c2c(cccc2Cl)sc1=NC(=O)C(C)C
InChi [?]:
InChI=1/C13H15ClN2OS/c1-4-16-11-9(14)6-5-7-10(11)18-13(16)15-12(17)8(2)3/h5-8H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,18,2,7,8,6,16,9,5,4,14,12,10,13,3,15,11/E:(2,3)/rA:18nCCNCCCCCCClSCNCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s5;s3s11;w12;s13;d14;s14;s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15ClN2OS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.13384
Area:422.047
Solvation:-1.41734
Coulombic:-24.5591
Bond Count [?]
All:19
Single:14
Double:5
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:282.79
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.72
LogP (Chemaxon):4.94

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Descriptor Annotations

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