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Chemical ID: 6267219
Chemical ID:
6267219
Name [?]:
N-(4-ethoxy-3-ethyl-benzothiazol-2-ylidene)pentanamide
SMILES [?]:
CCCCC(=O)N=c1n(c2c(cccc2s1)OCC)CC
InChi [?]:
InChI=1/C16H22N2O2S/c1-4-7-11-14(19)17-16-18(5-2)15-12(20-6-3)9-8-10-13(15)21-16/h8-10H,4-7,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,19,2,20,18,3,13,12,14,4,11,15,5,10,8,7,9,6,17,16/rA:21nCCCCCONCNCCCCCCSOCCCC/rB:s1;s2;s3;s4;d5;s5;w7;s8;s9;s10;d11;s12;d13;d10s14;s8s15;s11;s17;s18;s9;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H22N2O2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.86815 |
Area: | 497.297 |
Solvation: | -2.56427 |
Coulombic: | -31.293 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 306.424 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.28 |
LogP (Chemaxon): | 4.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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