Chemical ID: 6224143

Cc1cc(c2c(c1)sc(=NC(=O)C(C)C)n2C)C
Chemical ID:
6224143
Name [?]:
2-methyl-N-(3,4,6-trimethylbenzothiazol-2-ylidene)-propanamide
SMILES [?]:
Cc1cc(c2c(c1)sc(=NC(=O)C(C)C)n2C)C
InChi [?]:
InChI=1/C14H18N2OS/c1-8(2)13(17)15-14-16(5)12-10(4)6-9(3)7-11(12)18-14/h6-8H,1-5H3
InChi Info:
AuxInfo=1/0/N:14,15,1,18,17,3,7,13,2,4,6,5,11,9,10,16,12,8/E:(1,2)/rA:18nCCCCCCCSCNCOCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;w9;s10;d11;s11;s13;s13;s5s9;s16;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N2OS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.35202
Area:442.702
Solvation:-1.71552
Coulombic:-23.3899
Bond Count [?]
All:19
Single:14
Double:5
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:262.372
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.34
LogP (Chemaxon):5.02

Name Annotations

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Descriptor Annotations

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