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Chemical ID: 6007260

CCCCCc1ccc(cc1)C(=O)N(CC(=O)Nc2nccs2)C3CCCCC3

Chemical ID:

6007260

Name [?]:

N-cyclohexyl-4-pentyl-N-(thiazol-2-ylcarbamoylmethyl)benzamide

SMILES [?]:

CCCCCc1ccc(cc1)C(=O)N(CC(=O)Nc2nccs2)C3CCCCC3

InChi [?]:

InChI=1/C23H31N3O2S/c1-2-3-5-8-18-11-13-19(14-12-18)22(28)26(20-9-6-4-7-10-20)17-21(27)25-23-24-15-16-29-23/h11-16,20H,2-10,17H2,1H3,(H,24,25,27)

InChi Info:

AuxInfo=1/1/N:1,2,3,27,4,26,28,5,25,29,7,11,8,10,21,22,15,6,9,24,16,12,19,20,18,14,17,13,23/E:(6,7)(9,10)(11,12)(13,14)/rA:29nCCCCCCCCCCCCONCCONCNCCSCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;s19s22;s14;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₃₁N₃O₂S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3814
Area:	665.558
Solvation:	-4.2575
Coulombic:	-44.3965

Bond Count [?]

All:	31
Single:	24
Double:	7
Rotors:	11
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	413.577
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.32
LogP (Chemaxon):	5.17

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value