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Chemical ID: 6224143
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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Experimental Annotations
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Descriptor Annotations
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