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Chemical ID: 6283961
Chemical ID:
6283961
Name [?]:
N-(3-ethyl-6-methyl-benzothiazol-2-ylidene)-2,2-dimethyl-propanamide
SMILES [?]:
CCn1c2ccc(cc2sc1=NC(=O)C(C)(C)C)C
InChi [?]:
InChI=1/C15H20N2OS/c1-6-17-11-8-7-10(2)9-12(11)19-14(17)16-13(18)15(3,4)5/h7-9H,6H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,19,16,17,18,2,6,5,8,7,4,9,13,11,15,12,3,14,10/E:(3,4,5)/rA:19nCCNCCCCCCSCNCOCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;s15;s15;s15;s7;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.67799 |
Area: | 445.145 |
Solvation: | -1.45064 |
Coulombic: | -24.4737 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 276.398 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.74 |
LogP (Chemaxon): | 5.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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