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Chemical ID: 6030106

CCCCCCNC(=O)Cc1csc(n1)NC(=O)CN(CC(C)C)C(=O)c2ccc(cc2Cl)Cl

Chemical ID:

6030106

Name [?]:

2,4-dichloro-N-[[4-(hexylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]-N-isobutyl-benzamide

SMILES [?]:

CCCCCCNC(=O)Cc1csc(n1)NC(=O)CN(CC(C)C)C(=O)c2ccc(cc2Cl)Cl

InChi [?]:

InChI=1/C24H32Cl2N4O3S/c1-4-5-6-7-10-27-21(31)12-18-15-34-24(28-18)29-22(32)14-30(13-16(2)3)23(33)19-9-8-17(25)11-20(19)26/h8-9,11,15-16H,4-7,10,12-14H2,1-3H3,(H,27,31)(H,28,29,32)

InChi Info:

AuxInfo=1/1/N:1,23,24,2,3,4,5,29,28,6,31,10,21,19,12,22,30,11,27,32,8,17,25,14,34,33,7,15,16,20,9,18,26,13/E:(2,3)/rA:34nCCCCCCNCOCCCSCNNCOCNCCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;s21;s22;s22;s20;d25;s25;s27;d28;s29;d30;d27s31;s32;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₂Cl₂N₄O₃S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	14.7298
Area:	810.949
Solvation:	-5.54392
Coulombic:	-63.967

Bond Count [?]

All:	35
Single:	27
Double:	8
Rotors:	16
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	527.507
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.23
LogP (Chemaxon):	5.19

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value