Chemical ID: 6007446

CCCCCN(CC(=O)Nc1ncc(s1)C)C(=O)c2ccc(cc2)Cl
Chemical ID:
6007446
Name [?]:
4-chloro-N-[(5-methylthiazol-2-yl)carbamoylmethyl]-N-pentyl-benzamide
SMILES [?]:
CCCCCN(CC(=O)Nc1ncc(s1)C)C(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C18H22ClN3O2S/c1-3-4-5-10-22(17(24)14-6-8-15(19)9-7-14)12-16(23)21-18-20-11-13(2)25-18/h6-9,11H,3-5,10,12H2,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,16,2,3,4,20,24,21,23,5,13,7,14,19,22,8,17,11,25,12,10,6,9,18,15/E:(6,7)(8,9)/rA:25nCCCCCNCCONCNCCSCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s6;d17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22ClN3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.4152
Area:617.361
Solvation:-4.0188
Coulombic:-43.7932
Bond Count [?]
All:26
Single:19
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:379.905
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.27
LogP (Chemaxon):3.65

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