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Chemical ID: 6003400

CCCCCCc1ccc(cc1)C(=O)N(CCN2CCOCC2)CC(=O)Nc3nccs3

Chemical ID:

6003400

Name [?]:

4-hexyl-N-(2-morpholinoethyl)-N-(thiazol-2-ylcarbamoylmethyl)benzamide

SMILES [?]:

CCCCCCc1ccc(cc1)C(=O)N(CCN2CCOCC2)CC(=O)Nc3nccs3

InChi [?]:

InChI=1/C24H34N4O3S/c1-2-3-4-5-6-20-7-9-21(10-8-20)23(30)28(13-12-27-14-16-31-17-15-27)19-22(29)26-24-25-11-18-32-24/h7-11,18H,2-6,12-17,19H2,1H3,(H,25,26,29)

InChi Info:

AuxInfo=1/1/N:1,2,3,4,5,6,8,12,9,11,30,17,16,19,23,20,22,31,24,7,10,25,13,28,29,27,18,15,26,14,21,32/E:(7,8)(9,10)(14,15)(16,17)/rA:32nCCCCCCCCCCCCCONCCNCCOCCCCONCNCCS/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;s17;s18;s19;s20;s21;s18s22;s15;s24;d25;s25;s27;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₄N₄O₃S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4846
Area:	741.854
Solvation:	-6.06171
Coulombic:	-56.434

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	14
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	458.618
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.51
LogP (Chemaxon):	3.62

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