Chemical ID: 6945247

CCCCc1ccc2c(c1)sc(n2)NC(=O)c3cccc(c3)OCCCC
Chemical ID:
6945247
Name [?]:
3-butoxy-N-(6-butylbenzothiazol-2-yl)-benzamide
SMILES [?]:
CCCCc1ccc2c(c1)sc(n2)NC(=O)c3cccc(c3)OCCCC
InChi [?]:
InChI=1/C22H26N2O2S/c1-3-5-8-16-11-12-19-20(14-16)27-22(23-19)24-21(25)17-9-7-10-18(15-17)26-13-6-4-2/h7,9-12,14-15H,3-6,8,13H2,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,2,26,3,25,19,4,18,20,6,7,24,10,22,5,17,21,8,9,15,12,13,14,16,23,11/rA:27nCCCCCCCCCCSCNNCOCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s8d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26N2O2S
All Atoms:53
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.6557
Area:653.248
Solvation:-3.67549
Coulombic:-36.9485
Bond Count [?]
All:29
Single:21
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:382.52
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.21
LogP (Chemaxon):6.75

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