Chemical ID: 6009117

CCCCCCN(CC(=O)Nc1nccs1)C(=O)c2cccc(c2)Cl
Chemical ID:
6009117
Name [?]:
3-chloro-N-hexyl-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
CCCCCCN(CC(=O)Nc1nccs1)C(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C18H22ClN3O2S/c1-2-3-4-5-10-22(13-16(23)21-18-20-9-11-25-18)17(24)14-7-6-8-15(19)12-14/h6-9,11-12H,2-5,10,13H2,1H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,21,20,22,14,6,15,24,8,19,23,9,17,12,25,13,11,7,10,18,16/rA:25nCCCCCCNCCONCNCCSCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s7;d17;s17;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22ClN3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.3777
Area:619.793
Solvation:-4.11716
Coulombic:-43.9289
Bond Count [?]
All:26
Single:19
Double:7
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:379.905
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.99
LogP (Chemaxon):4.05

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Descriptor Annotations

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