Chemical ID: 6284958

CCCCCOc1ccc(cc1)C(=O)N=c2n(c3c(c(ccc3s2)C)C)C
Chemical ID:
6284958
Name [?]:
4-pentoxy-N-(3,4,5-trimethylbenzothiazol-2-ylidene)-benzamide
SMILES [?]:
CCCCCOc1ccc(cc1)C(=O)N=c2n(c3c(c(ccc3s2)C)C)C
InChi [?]:
InChI=1/C22H26N2O2S/c1-5-6-7-14-26-18-11-9-17(10-12-18)21(25)23-22-24(4)20-16(3)15(2)8-13-19(20)27-22/h8-13H,5-7,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,26,27,2,3,4,21,9,11,8,12,22,5,20,19,10,7,23,18,13,16,15,17,14,6,24/E:(9,10)(11,12)/rA:27nCCCCCOCCCCCCCONCNCCCCCCSCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;w15;s16;s17;s18;d19;s20;d21;d18s22;s16s23;s20;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.6274
Area:619.503
Solvation:-2.8602
Coulombic:-33.6036
Bond Count [?]
All:29
Single:21
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:382.52
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.34
LogP (Chemaxon):6.91

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue